bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one

C135H206Cl2N22O18S — CID 160877348

IUPACbis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one
SMILESCC(C)Cc1cccn(-c2ccnn2C)c1=O.CC(C)Nc1cnn(C)c1.CNC(=O)c1nscc1NC(C)C.CNC(=O)c1occc1NC(C)C.COC1CC(Oc2ncc(Cl)cc2NC(C)C)C1.COC1CC(Oc2ncc(Cl)cc2NC(C)C)C1.COC1CC(Oc2ncccc2NC(C)C)C1.COC1CC(Oc2ncccc2NC(C)C)C1.COC1CCC(n2cccc(CC(C)C)c2=O)CC1.COC1CCC(n2cccc(CC(C)C)c2=O)CC1.CO[C@H]1CC[C@@H]1n1cccc(CC(C)C)c1=O
InChIInChI=1S/2C16H25NO2.C14H21NO2.2C13H19ClN2O2.C13H17N3O.2C13H20N2O2.C9H14N2O2.C8H13N3OS.C7H13N3/c2*1-12(2)11-13-5-4-10-17(16(13)18)14-6-8-15(19-3)9-7-14;1-10(2)9-11-5-4-8-15(14(11)16)12-6-7-13(12)17-3;2*1-8(2)16-12-4-9(14)7-15-13(12)18-11-5-10(6-11)17-3;1-10(2)9-11-5-4-8-16(13(11)17)12-6-7-14-15(12)3;2*1-9(2)15-12-5-4-6-14-13(12)17-11-7-10(8-11)16-3;1-6(2)11-7-4-5-13-8(7)9(12)10-3;1-5(2)10-6-4-13-11-7(6)8(12)9-3;1-6(2)9-7-4-8-10(3)5-7/h2*4-5,10,12,14-15H,6-9,11H2,1-3H3;4-5,8,10,12-13H,6-7,9H2,1-3H3;2*4,7-8,10-11,16H,5-6H2,1-3H3;4-8,10H,9H2,1-3H3;2*4-6,9-11,15H,7-8H2,1-3H3;4-6,11H,1-3H3,(H,10,12);4-5,10H,1-3H3,(H,9,12);4-6,9H,1-3H3/t;;12-,13-;;;;;;;;/m..0......../s1
InChIKeySMOMVCTTXXEROW-QDTPSORLSA-N
MW2528.24 g/mol
LogP25.68
Rot. Bonds43

About bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one

bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one (PubChem CID 160877348) has the molecular formula C135H206Cl2N22O18S and a molecular weight of 2528.24 g/mol. Its IUPAC name is bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Namebis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one
PubChem CID160877348
Molecular FormulaC135H206Cl2N22O18S
Molecular Weight2528.24 g/mol
Exact Mass2525.50
IUPAC Namebis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one
SMILESCC(C)Cc1cccn(-c2ccnn2C)c1=O.CC(C)Nc1cnn(C)c1.CNC(=O)c1nscc1NC(C)C.CNC(=O)c1occc1NC(C)C.COC1CC(Oc2ncc(Cl)cc2NC(C)C)C1.COC1CC(Oc2ncc(Cl)cc2NC(C)C)C1.COC1CC(Oc2ncccc2NC(C)C)C1.COC1CC(Oc2ncccc2NC(C)C)C1.COC1CCC(n2cccc(CC(C)C)c2=O)CC1.COC1CCC(n2cccc(CC(C)C)c2=O)CC1.CO[C@H]1CC[C@@H]1n1cccc(CC(C)C)c1=O
InChIInChI=1S/2C16H25NO2.C14H21NO2.2C13H19ClN2O2.C13H17N3O.2C13H20N2O2.C9H14N2O2.C8H13N3OS.C7H13N3/c2*1-12(2)11-13-5-4-10-17(16(13)18)14-6-8-15(19-3)9-7-14;1-10(2)9-11-5-4-8-15(14(11)16)12-6-7-13(12)17-3;2*1-8(2)16-12-4-9(14)7-15-13(12)18-11-5-10(6-11)17-3;1-10(2)9-11-5-4-8-16(13(11)17)12-6-7-14-15(12)3;2*1-9(2)15-12-5-4-6-14-13(12)17-11-7-10(8-11)16-3;1-6(2)11-7-4-5-13-8(7)9(12)10-3;1-5(2)10-6-4-13-11-7(6)8(12)9-3;1-6(2)9-7-4-8-10(3)5-7/h2*4-5,10,12,14-15H,6-9,11H2,1-3H3;4-5,8,10,12-13H,6-7,9H2,1-3H3;2*4,7-8,10-11,16H,5-6H2,1-3H3;4-8,10H,9H2,1-3H3;2*4-6,9-11,15H,7-8H2,1-3H3;4-6,11H,1-3H3,(H,10,12);4-5,10H,1-3H3,(H,9,12);4-6,9H,1-3H3/t;;12-,13-;;;;;;;;/m..0......../s1
InChIKeySMOMVCTTXXEROW-QDTPSORLSA-N
XLogP25.68
TPSA445.17 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds43
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002528.24
LogP ≤ 525.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one?
The IUPAC name of bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one (CID 160877348) is bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one.
What is the SMILES notation for bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one?
The canonical SMILES for bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one is CC(C)Cc1cccn(-c2ccnn2C)c1=O.CC(C)Nc1cnn(C)c1.CNC(=O)c1nscc1NC(C)C.CNC(=O)c1occc1NC(C)C.COC1CC(Oc2ncc(Cl)cc2NC(C)C)C1.COC1CC(Oc2ncc(Cl)cc2NC(C)C)C1.COC1CC(Oc2ncccc2NC(C)C)C1.COC1CC(Oc2ncccc2NC(C)C)C1.COC1CCC(n2cccc(CC(C)C)c2=O)CC1.COC1CCC(n2cccc(CC(C)C)c2=O)CC1.CO[C@H]1CC[C@@H]1n1cccc(CC(C)C)c1=O.
What is the InChIKey of bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one?
The InChIKey is SMOMVCTTXXEROW-QDTPSORLSA-N. The full InChI is InChI=1S/2C16H25NO2.C14H21NO2.2C13H19ClN2O2.C13H17N3O.2C13H20N2O2.C9H14N2O2.C8H13N3OS.C7H13N3/c2*1-12(2)11-13-5-4-10-17(16(13)18)14-6-8-15(19-3)9-7-14;1-10(2)9-11-5-4-8-15(14(11)16)12-6-7-13(12)17-3;2*1-8(2)16-12-4-9(14)7-15-13(12)18-11-5-10(6-11)17-3;1-10(2)9-11-5-4-8-16(13(11)17)12-6-7-14-15(12)3;2*1-9(2)15-12-5-4-6-14-13(12)17-11-7-10(8-11)16-3;1-6(2)11-7-4-5-13-8(7)9(12)10-3;1-5(2)10-6-4-13-11-7(6)8(12)9-3;1-6(2)9-7-4-8-10(3)5-7/h2*4-5,10,12,14-15H,6-9,11H2,1-3H3;4-5,8,10,12-13H,6-7,9H2,1-3H3;2*4,7-8,10-11,16H,5-6H2,1-3H3;4-8,10H,9H2,1-3H3;2*4-6,9-11,15H,7-8H2,1-3H3;4-6,11H,1-3H3,(H,10,12);4-5,10H,1-3H3,(H,9,12);4-6,9H,1-3H3/t;;12-,13-;;;;;;;;/m..0......../s1.
What are the key properties of bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one?
bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one has a molecular weight of 2528.24 g/mol, XLogP of 25.68, 43 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);1-[(1S,2S)-2-methoxycyclobutyl]-3-(2-methylpropyl)pyridin-2-one;bis(2-(3-methoxycyclobutyl)oxy-N-propan-2-ylpyridin-3-amine);bis(1-(4-methoxycyclohexyl)-3-(2-methylpropyl)pyridin-2-one);N-methyl-3-(propan-2-ylamino)furan-2-carboxamide;N-methyl-4-(propan-2-ylamino)-1,2-thiazole-3-carboxamide;1-methyl-N-propan-2-ylpyrazol-4-amine;3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)pyridin-2-one is sourced from PubChem (CID 160877348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).