6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide

C23H24ClN3O2 — CID 10047143

IUPAC6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(C)C)cc1
InChIInChI=1S/C23H24ClN3O2/c1-15(2)20-12-22(27-18-6-4-5-17(24)11-18)25-14-21(20)23(28)26-13-16-7-9-19(29-3)10-8-16/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFFZDDZRSCGLWKR-UHFFFAOYSA-N
MW409.92 g/mol
LogP5.54
Rot. Bonds7

About 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide

6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 10047143) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
PubChem CID10047143
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(C)C)cc1
InChIInChI=1S/C23H24ClN3O2/c1-15(2)20-12-22(27-18-6-4-5-17(24)11-18)25-14-21(20)23(28)26-13-16-7-9-19(29-3)10-8-16/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFFZDDZRSCGLWKR-UHFFFAOYSA-N
XLogP5.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.92
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
6-(3-chloroanilino)-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166
6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570167
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10385607
6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide
CID 142877822
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
6-(3-chloroanilino)-N-[(4-fluorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 10342262
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide (CID 10047143) is 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(C)C)cc1.
What is the InChIKey of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is FFZDDZRSCGLWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-15(2)20-12-22(27-18-6-4-5-17(24)11-18)25-14-21(20)23(28)26-13-16-7-9-19(29-3)10-8-16/h4-12,14-15H,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 10047143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).