5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide

C13H20ClN3O2 — CID 106139343

IUPAC5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-13(2,4-3-5-18)8-17-12(19)10-6-9(15)7-16-11(10)14/h6-7,18H,3-5,8,15H2,1-2H3,(H,17,19)
InChIKeyCVFAJKBELSAQSL-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.85
Rot. Bonds6

About 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide

5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide (PubChem CID 106139343) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
PubChem CID106139343
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-13(2,4-3-5-18)8-17-12(19)10-6-9(15)7-16-11(10)14/h6-7,18H,3-5,8,15H2,1-2H3,(H,17,19)
InChIKeyCVFAJKBELSAQSL-UHFFFAOYSA-N
XLogP1.85
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-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

5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
6-hydrazinyl-N-(6-hydroxy-2,2-dimethylhexyl)pyridine-3-carboxamide
CID 91459914
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899579
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106332653
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
CID 114046104
5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 114046044

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide (CID 106139343) is 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide is CC(C)(CCCO)CNC(=O)c1cc(N)cnc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The InChIKey is CVFAJKBELSAQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-13(2,4-3-5-18)8-17-12(19)10-6-9(15)7-16-11(10)14/h6-7,18H,3-5,8,15H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 106139343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).