4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

C20H18ClN3O2 — CID 109212198

IUPAC4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-26-16-8-6-14(7-9-16)13-23-20(25)19-12-15(10-11-22-19)24-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyLDNHSRZMTYZHEM-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.42
Rot. Bonds6

About 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109212198) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109212198
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-26-16-8-6-14(7-9-16)13-23-20(25)19-12-15(10-11-22-19)24-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyLDNHSRZMTYZHEM-UHFFFAOYSA-N
XLogP4.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
methyl 3-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]-4-chlorobenzoate
CID 109209727
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214542
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109212198) is 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccccc3Cl)ccn2)cc1.
What is the InChIKey of 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is LDNHSRZMTYZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-16-8-6-14(7-9-16)13-23-20(25)19-12-15(10-11-22-19)24-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).