N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide

C73H66ClN17O5 — CID 123923948

IUPACN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2ccnc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H18N4O.C18H16ClN5O.C18H17N5O.C18H15N3O2/c1-14-5-3-6-15(9-14)19(24)22-16-10-18(13-21-11-16)23(2)17-7-4-8-20-12-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-3-5-14(8-13)18(24)22-15-6-7-21-17(9-15)23(2)16-10-19-12-20-11-16;1-13-4-2-5-14(8-13)18(22)21-15-9-17(12-20-10-15)23-16-6-3-7-19-11-16/h3-13H,1-2H3,(H,22,24);3-11H,1-2H3,(H,22,23,25);3-12H,1-2H3,(H,21,22,24);2-12H,1H3,(H,21,22)
InChIKeyWTAVAXDSFVPRQB-UHFFFAOYSA-N
MW1296.90 g/mol
LogP14.69
Rot. Bonds16

About N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide

N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide (PubChem CID 123923948) has the molecular formula C73H66ClN17O5 and a molecular weight of 1296.90 g/mol. Its IUPAC name is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide
PubChem CID123923948
Molecular FormulaC73H66ClN17O5
Molecular Weight1296.90 g/mol
Exact Mass1295.51
IUPAC NameN-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2ccnc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H18N4O.C18H16ClN5O.C18H17N5O.C18H15N3O2/c1-14-5-3-6-15(9-14)19(24)22-16-10-18(13-21-11-16)23(2)17-7-4-8-20-12-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-3-5-14(8-13)18(24)22-15-6-7-21-17(9-15)23(2)16-10-19-12-20-11-16;1-13-4-2-5-14(8-13)18(22)21-15-9-17(12-20-10-15)23-16-6-3-7-19-11-16/h3-13H,1-2H3,(H,22,24);3-11H,1-2H3,(H,22,23,25);3-12H,1-2H3,(H,21,22,24);2-12H,1H3,(H,21,22)
InChIKeyWTAVAXDSFVPRQB-UHFFFAOYSA-N
XLogP14.69
TPSA264.25 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.90
LogP ≤ 514.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide with MolForge

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Related Compounds

N-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 164619696
3-chloro-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide
CID 58349087
5-chloro-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 51038162
3-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349154
3-[2-[[4-(2-Fluoroethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide
CID 87535176
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123268019
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 123486701
3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
CID 123652627
3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 123776017
2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 123857211
N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
CID 123901493
3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
CID 123936752

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
The IUPAC name of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide (CID 123923948) is N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide.
What is the SMILES notation for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
The canonical SMILES for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide is Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)cc(Cl)n2)c1.Cc1cccc(C(=O)Nc2ccnc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1.
What is the InChIKey of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
The InChIKey is WTAVAXDSFVPRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C18H16ClN5O.C18H17N5O.C18H15N3O2/c1-14-5-3-6-15(9-14)19(24)22-16-10-18(13-21-11-16)23(2)17-7-4-8-20-12-17;1-12-4-3-5-13(6-12)18(25)23-17-8-14(7-16(19)22-17)24(2)15-9-20-11-21-10-15;1-13-4-3-5-14(8-13)18(24)22-15-6-7-21-17(9-15)23(2)16-10-19-12-20-11-16;1-13-4-2-5-14(8-13)18(22)21-15-9-17(12-20-10-15)23-16-6-3-7-19-11-16/h3-13H,1-2H3,(H,22,24);3-11H,1-2H3,(H,22,23,25);3-12H,1-2H3,(H,21,22,24);2-12H,1H3,(H,21,22).
What are the key properties of N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide?
N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide has a molecular weight of 1296.90 g/mol, XLogP of 14.69, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-[2-[methyl(pyrimidin-5-yl)amino]-4-pyridinyl]benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide is sourced from PubChem (CID 123923948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).