6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide

C21H20ClN3O — CID 109156184

IUPAC6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-15(17-5-3-2-4-6-17)25-21(26)18-9-12-20(24-14-18)23-13-16-7-10-19(22)11-8-16/h2-12,14-15H,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyMFTTXIKREVBQKK-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.84
Rot. Bonds6

About 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109156184) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109156184
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1)c1ccccc1
InChIInChI=1S/C21H20ClN3O/c1-15(17-5-3-2-4-6-17)25-21(26)18-9-12-20(24-14-18)23-13-16-7-10-19(22)11-8-16/h2-12,14-15H,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyMFTTXIKREVBQKK-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109156184) is 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1)c1ccccc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is MFTTXIKREVBQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15(17-5-3-2-4-6-17)25-21(26)18-9-12-20(24-14-18)23-13-16-7-10-19(22)11-8-16/h2-12,14-15H,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109156184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).