2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide

C13H13ClN4O — CID 62154959

IUPAC2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(N)nc(Cl)c1)c1ccccn1
InChIInChI=1S/C13H13ClN4O/c1-8(10-4-2-3-5-16-10)17-13(19)9-6-11(14)18-12(15)7-9/h2-8H,1H3,(H2,15,18)(H,17,19)
InChIKeyWEYKLCDHHBMUBT-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 62154959) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID62154959
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(N)nc(Cl)c1)c1ccccn1
InChIInChI=1S/C13H13ClN4O/c1-8(10-4-2-3-5-16-10)17-13(19)9-6-11(14)18-12(15)7-9/h2-8H,1H3,(H2,15,18)(H,17,19)
InChIKeyWEYKLCDHHBMUBT-UHFFFAOYSA-N
XLogP2.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 60862531
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 62186333
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 62154959) is 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide is CC(NC(=O)c1cc(N)nc(Cl)c1)c1ccccn1.
What is the InChIKey of 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is WEYKLCDHHBMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8(10-4-2-3-5-16-10)17-13(19)9-6-11(14)18-12(15)7-9/h2-8H,1H3,(H2,15,18)(H,17,19).
What are the key properties of 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62154959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).