4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide

C9H13ClN3O+ — CID 142557566

IUPAC4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide
SMILESCC(C)NC(=O)c1c[nH+]c(Cl)cc1N
InChIInChI=1S/C9H12ClN3O/c1-5(2)13-9(14)6-4-12-8(10)3-7(6)11/h3-5H,1-2H3,(H2,11,12)(H,13,14)/p+1
InChIKeyDZBORWIDZPXCPM-UHFFFAOYSA-O
MW214.68 g/mol
LogP0.87
Rot. Bonds2

About 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide

4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide (PubChem CID 142557566) has the molecular formula C9H13ClN3O+ and a molecular weight of 214.68 g/mol. Its IUPAC name is 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide
PubChem CID142557566
Molecular FormulaC9H13ClN3O+
Molecular Weight214.68 g/mol
Exact Mass214.07
IUPAC Name4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide
SMILESCC(C)NC(=O)c1c[nH+]c(Cl)cc1N
InChIInChI=1S/C9H12ClN3O/c1-5(2)13-9(14)6-4-12-8(10)3-7(6)11/h3-5H,1-2H3,(H2,11,12)(H,13,14)/p+1
InChIKeyDZBORWIDZPXCPM-UHFFFAOYSA-O
XLogP0.87
TPSA69.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-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

4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
4-chloro-N-propan-2-ylbenzamide
CID 24045
2-amino-N,5-di(propan-2-yl)thiophene-3-carboxamide
CID 43174802
2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
CID 110766101
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide?
The IUPAC name of 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide (CID 142557566) is 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide?
The canonical SMILES for 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide is CC(C)NC(=O)c1c[nH+]c(Cl)cc1N.
What is the InChIKey of 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide?
The InChIKey is DZBORWIDZPXCPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12ClN3O/c1-5(2)13-9(14)6-4-12-8(10)3-7(6)11/h3-5H,1-2H3,(H2,11,12)(H,13,14)/p+1.
What are the key properties of 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide?
4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide has a molecular weight of 214.68 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-N-propan-2-ylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 142557566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).