6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine

C96H95Cl3F8N18O3 — CID 157194818

IUPAC6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine
SMILESCN1CCC(N(C)c2ccc(N)nc2)CC1.CN1CCC(N(C)c2ccc(Nc3cc4c(cn3)cc(-c3c(F)cccc3F)c(=O)n4C3CCC3)nc2)CC1.N#CCc1c(F)cccc1F.O=Cc1cnc(Cl)cc1NC1CCC1.O=c1c(-c2c(F)cccc2F)cc2cnc(Cl)cc2n1C1CCC1.[H]/N=c1/c(-c2c(F)cccc2F)cc2cnc(Cl)cc2n1C1CCC1
InChIInChI=1S/C30H32F2N6O.C18H14ClF2N3.C18H13ClF2N2O.C12H20N4.C10H11ClN2O.C8H5F2N/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21;19-16-8-15-10(9-23-16)7-12(17-13(20)5-2-6-14(17)21)18(22)24(15)11-3-1-4-11;19-16-8-15-10(9-22-16)7-12(17-13(20)5-2-6-14(17)21)18(24)23(15)11-3-1-4-11;1-15-7-5-10(6-8-15)16(2)11-3-4-12(13)14-9-11;11-10-4-9(7(6-14)5-12-10)13-8-2-1-3-8;9-7-2-1-3-8(10)6(7)4-5-11/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35);2,5-9,11,22H,1,3-4H2;2,5-9,11H,1,3-4H2;3-4,9-10H,5-8H2,1-2H3,(H2,13,14);4-6,8H,1-3H2,(H,12,13);1-3H,4H2/b;22-18-;;;;
InChIKeyAQCUHQZCAUVHBI-XEJMHPPZSA-N
MW1807.28 g/mol
LogP21.03
Rot. Bonds16

About 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine

6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine (PubChem CID 157194818) has the molecular formula C96H95Cl3F8N18O3 and a molecular weight of 1807.28 g/mol. Its IUPAC name is 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine
PubChem CID157194818
Molecular FormulaC96H95Cl3F8N18O3
Molecular Weight1807.28 g/mol
Exact Mass1804.68
IUPAC Name6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine
SMILESCN1CCC(N(C)c2ccc(N)nc2)CC1.CN1CCC(N(C)c2ccc(Nc3cc4c(cn3)cc(-c3c(F)cccc3F)c(=O)n4C3CCC3)nc2)CC1.N#CCc1c(F)cccc1F.O=Cc1cnc(Cl)cc1NC1CCC1.O=c1c(-c2c(F)cccc2F)cc2cnc(Cl)cc2n1C1CCC1.[H]/N=c1/c(-c2c(F)cccc2F)cc2cnc(Cl)cc2n1C1CCC1
InChIInChI=1S/C30H32F2N6O.C18H14ClF2N3.C18H13ClF2N2O.C12H20N4.C10H11ClN2O.C8H5F2N/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21;19-16-8-15-10(9-23-16)7-12(17-13(20)5-2-6-14(17)21)18(22)24(15)11-3-1-4-11;19-16-8-15-10(9-22-16)7-12(17-13(20)5-2-6-14(17)21)18(24)23(15)11-3-1-4-11;1-15-7-5-10(6-8-15)16(2)11-3-4-12(13)14-9-11;11-10-4-9(7(6-14)5-12-10)13-8-2-1-3-8;9-7-2-1-3-8(10)6(7)4-5-11/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35);2,5-9,11,22H,1,3-4H2;2,5-9,11H,1,3-4H2;3-4,9-10H,5-8H2,1-2H3,(H2,13,14);4-6,8H,1-3H2,(H,12,13);1-3H,4H2/b;22-18-;;;;
InChIKeyAQCUHQZCAUVHBI-XEJMHPPZSA-N
XLogP21.03
TPSA254.02 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001807.28
LogP ≤ 521.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine?
The IUPAC name of 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine (CID 157194818) is 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine.
What is the SMILES notation for 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine?
The canonical SMILES for 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine is CN1CCC(N(C)c2ccc(N)nc2)CC1.CN1CCC(N(C)c2ccc(Nc3cc4c(cn3)cc(-c3c(F)cccc3F)c(=O)n4C3CCC3)nc2)CC1.N#CCc1c(F)cccc1F.O=Cc1cnc(Cl)cc1NC1CCC1.O=c1c(-c2c(F)cccc2F)cc2cnc(Cl)cc2n1C1CCC1.[H]/N=c1/c(-c2c(F)cccc2F)cc2cnc(Cl)cc2n1C1CCC1.
What is the InChIKey of 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine?
The InChIKey is AQCUHQZCAUVHBI-XEJMHPPZSA-N. The full InChI is InChI=1S/C30H32F2N6O.C18H14ClF2N3.C18H13ClF2N2O.C12H20N4.C10H11ClN2O.C8H5F2N/c1-36-13-11-20(12-14-36)37(2)22-9-10-27(34-18-22)35-28-16-26-19(17-33-28)15-23(29-24(31)7-4-8-25(29)32)30(39)38(26)21-5-3-6-21;19-16-8-15-10(9-23-16)7-12(17-13(20)5-2-6-14(17)21)18(22)24(15)11-3-1-4-11;19-16-8-15-10(9-22-16)7-12(17-13(20)5-2-6-14(17)21)18(24)23(15)11-3-1-4-11;1-15-7-5-10(6-8-15)16(2)11-3-4-12(13)14-9-11;11-10-4-9(7(6-14)5-12-10)13-8-2-1-3-8;9-7-2-1-3-8(10)6(7)4-5-11/h4,7-10,15-18,20-21H,3,5-6,11-14H2,1-2H3,(H,33,34,35);2,5-9,11,22H,1,3-4H2;2,5-9,11H,1,3-4H2;3-4,9-10H,5-8H2,1-2H3,(H2,13,14);4-6,8H,1-3H2,(H,12,13);1-3H,4H2/b;22-18-;;;;.
What are the key properties of 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine?
6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine has a molecular weight of 1807.28 g/mol, XLogP of 21.03, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclobutylamino)pyridine-3-carbaldehyde;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-imine;7-chloro-1-cyclobutyl-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;1-cyclobutyl-3-(2,6-difluorophenyl)-7-[[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]-1,6-naphthyridin-2-one;2-(2,6-difluorophenyl)acetonitrile;5-N-methyl-5-N-(1-methylpiperidin-4-yl)pyridine-2,5-diamine is sourced from PubChem (CID 157194818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).