N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

C20H19ClN4O3 — CID 109157742

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NCc3ccccn3)nc2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-27-17-10-16(18(28-2)9-15(17)21)25-20(26)13-6-7-19(23-11-13)24-12-14-5-3-4-8-22-14/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVIGJTOGRFQRUEX-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.01
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109157742) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109157742
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NCc3ccccn3)nc2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-27-17-10-16(18(28-2)9-15(17)21)25-20(26)13-6-7-19(23-11-13)24-12-14-5-3-4-8-22-14/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVIGJTOGRFQRUEX-UHFFFAOYSA-N
XLogP4.01
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258745
N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
CID 109152462
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109156807
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152976
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120732
N-(5-chloro-2-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155689
6-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109157732

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (CID 109157742) is N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(NCc3ccccn3)nc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is VIGJTOGRFQRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-27-17-10-16(18(28-2)9-15(17)21)25-20(26)13-6-7-19(23-11-13)24-12-14-5-3-4-8-22-14/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).