4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide

C18H15ClN4O — CID 113012926

IUPAC4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccncc2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O/c19-15-3-1-14(2-4-15)18(24)23-16-5-6-17(22-12-16)21-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyHPCMHCPUWSHAGC-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

About 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide

4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide (PubChem CID 113012926) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
PubChem CID113012926
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccncc2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O/c19-15-3-1-14(2-4-15)18(24)23-16-5-6-17(22-12-16)21-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyHPCMHCPUWSHAGC-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
3,4-dimethyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzamide
CID 113027886
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide (CID 113012926) is 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide is O=C(Nc1ccc(NCc2ccncc2)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide?
The InChIKey is HPCMHCPUWSHAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-15-3-1-14(2-4-15)18(24)23-16-5-6-17(22-12-16)21-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H,21,22)(H,23,24).
What are the key properties of 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide?
4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113012926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).