4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide

C21H20ClN3O — CID 109211739

IUPAC4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(NCc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C21H20ClN3O/c1-2-15-7-9-17(10-8-15)25-21(26)20-13-18(11-12-23-20)24-14-16-5-3-4-6-19(16)22/h3-13H,2,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQXBBDEKQQQKCTQ-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.16
Rot. Bonds6

About 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide

4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide (PubChem CID 109211739) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
PubChem CID109211739
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(NCc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C21H20ClN3O/c1-2-15-7-9-17(10-8-15)25-21(26)20-13-18(11-12-23-20)24-14-16-5-3-4-6-19(16)22/h3-13H,2,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQXBBDEKQQQKCTQ-UHFFFAOYSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
methyl 4-[[4-[(2-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109210134
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
ethyl 4-[[4-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109211355
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211697
N-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212111

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide (CID 109211739) is 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide is CCc1ccc(NC(=O)c2cc(NCc3ccccc3Cl)ccn2)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
The InChIKey is QXBBDEKQQQKCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-2-15-7-9-17(10-8-15)25-21(26)20-13-18(11-12-23-20)24-14-16-5-3-4-6-19(16)22/h3-13H,2,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide?
4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109211739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).