6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide

C13H16ClN3O — CID 176871377

IUPAC6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc(Cl)cc1NC1CC1
InChIInChI=1S/C13H16ClN3O/c14-12-5-11(17-9-3-4-9)10(7-15-12)13(18)16-6-8-1-2-8/h5,7-9H,1-4,6H2,(H,15,17)(H,16,18)
InChIKeyMROYXJAVFQBKTM-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.45
Rot. Bonds5

About 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide

6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide (PubChem CID 176871377) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
PubChem CID176871377
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc(Cl)cc1NC1CC1
InChIInChI=1S/C13H16ClN3O/c14-12-5-11(17-9-3-4-9)10(7-15-12)13(18)16-6-8-1-2-8/h5,7-9H,1-4,6H2,(H,15,17)(H,16,18)
InChIKeyMROYXJAVFQBKTM-UHFFFAOYSA-N
XLogP2.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)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-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006
[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone
CID 167425557
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]methylamino]-N-(2-fluoroethyl)pyridine-3-carboxamide
CID 167425441
ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate
CID 118206480
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide
CID 146381870
6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90154764
6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146382161
4-amino-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 156880832
6-chloro-4-[[4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146423188

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide (CID 176871377) is 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide is O=C(NCC1CC1)c1cnc(Cl)cc1NC1CC1.
What is the InChIKey of 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The InChIKey is MROYXJAVFQBKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-12-5-11(17-9-3-4-9)10(7-15-12)13(18)16-6-8-1-2-8/h5,7-9H,1-4,6H2,(H,15,17)(H,16,18).
What are the key properties of 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide?
6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 176871377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).