2-amino-N-benzylpyridine-4-carboxamide

C13H13N3O — CID 18752897

IUPAC2-amino-N-benzylpyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C13H13N3O/c14-12-8-11(6-7-15-12)13(17)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15)(H,16,17)
InChIKeyPWZMLXGKSVYNPI-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-N-benzylpyridine-4-carboxamide

2-amino-N-benzylpyridine-4-carboxamide (PubChem CID 18752897) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-N-benzylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzylpyridine-4-carboxamide
PubChem CID18752897
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-amino-N-benzylpyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C13H13N3O/c14-12-8-11(6-7-15-12)13(17)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15)(H,16,17)
InChIKeyPWZMLXGKSVYNPI-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2-amino-N-[[3-(1,1-difluoropropoxy)phenyl]methyl]pyridine-4-carboxamide
CID 162566177
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
3-amino-N-benzyl-4-methylbenzamide
CID 12607982

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-benzylpyridine-4-carboxamide (CID 18752897) is 2-amino-N-benzylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-benzylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-benzylpyridine-4-carboxamide is Nc1cc(C(=O)NCc2ccccc2)ccn1.
What is the InChIKey of 2-amino-N-benzylpyridine-4-carboxamide?
The InChIKey is PWZMLXGKSVYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-12-8-11(6-7-15-12)13(17)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-benzylpyridine-4-carboxamide?
2-amino-N-benzylpyridine-4-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzylpyridine-4-carboxamide is sourced from PubChem (CID 18752897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).