4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C20H19ClN4O2 — CID 109213087

IUPAC4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-8-17(19(27-2)10-16(13)21)25-15-5-7-23-18(9-15)20(26)24-12-14-4-3-6-22-11-14/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXENLLAXRXUAKRA-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.12
Rot. Bonds6

About 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213087) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109213087
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-8-17(19(27-2)10-16(13)21)25-15-5-7-23-18(9-15)20(26)24-12-14-4-3-6-22-11-14/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXENLLAXRXUAKRA-UHFFFAOYSA-N
XLogP4.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330092
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350063
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171981
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501
4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222674

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109213087) is 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XENLLAXRXUAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-8-17(19(27-2)10-16(13)21)25-15-5-7-23-18(9-15)20(26)24-12-14-4-3-6-22-11-14/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).