2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

C12H16ClN3O2 — CID 62159652

IUPAC2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCCO2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c13-10-5-8(6-11(14)16-10)12(17)15-7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H2,14,16)(H,15,17)
InChIKeyDVVUDWIVTJKMOX-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.62
Rot. Bonds3

About 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 62159652) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID62159652
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCCCO2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c13-10-5-8(6-11(14)16-10)12(17)15-7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H2,14,16)(H,15,17)
InChIKeyDVVUDWIVTJKMOX-UHFFFAOYSA-N
XLogP1.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.62
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-(oxan-2-ylmethyl)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

2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-chloro-6-methyl-N-[2-(oxan-2-yl)ethyl]pyridine-4-carboxamide
CID 104952816
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide
CID 107184869
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (CID 62159652) is 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCC2CCCCO2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is DVVUDWIVTJKMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-5-8(6-11(14)16-10)12(17)15-7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.62, 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-(oxan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62159652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).