5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C20H19ClN4O3 — CID 109235620

IUPAC5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCOc1cc(Nc2cncc(C(=O)NCc3ccncc3)c2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-27-18-9-17(19(28-2)8-16(18)21)25-15-7-14(11-23-12-15)20(26)24-10-13-3-5-22-6-4-13/h3-9,11-12,25H,10H2,1-2H3,(H,24,26)
InChIKeyHEHNPDNGSDRRSO-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.82
Rot. Bonds7

About 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235620) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109235620
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCOc1cc(Nc2cncc(C(=O)NCc3ccncc3)c2)c(OC)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-27-18-9-17(19(28-2)8-16(18)21)25-15-7-14(11-23-12-15)20(26)24-10-13-3-5-22-6-4-13/h3-9,11-12,25H,10H2,1-2H3,(H,24,26)
InChIKeyHEHNPDNGSDRRSO-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232606
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235617
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235494

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109235620) is 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is COc1cc(Nc2cncc(C(=O)NCc3ccncc3)c2)c(OC)cc1Cl.
What is the InChIKey of 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HEHNPDNGSDRRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-27-18-9-17(19(28-2)8-16(18)21)25-15-7-14(11-23-12-15)20(26)24-10-13-3-5-22-6-4-13/h3-9,11-12,25H,10H2,1-2H3,(H,24,26).
What are the key properties of 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).