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

C13H12ClN3O — CID 112722784

IUPAC6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H12ClN3O/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-17-12)13(15)18/h1-6,8H,7H2,(H2,15,18)(H,16,17)
InChIKeyBQBIJPMMYPRLEO-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.45
Rot. Bonds4

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

6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 112722784) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID112722784
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H12ClN3O/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-17-12)13(15)18/h1-6,8H,7H2,(H2,15,18)(H,16,17)
InChIKeyBQBIJPMMYPRLEO-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 112727012
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156184
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
6-[(4-chlorophenyl)methylamino]-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109156965
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide (CID 112722784) is 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide is NC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is BQBIJPMMYPRLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-17-12)13(15)18/h1-6,8H,7H2,(H2,15,18)(H,16,17).
What are the key properties of 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 112722784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).