2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide

C13H18ClN3O — CID 113464140

IUPAC2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC2CC2C)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-3-15-12-6-9(5-11(14)17-12)13(18)16-7-10-4-8(10)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNEBDRULGFMSMLT-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.55
Rot. Bonds5

About 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 113464140) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID113464140
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC2CC2C)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-3-15-12-6-9(5-11(14)17-12)13(18)16-7-10-4-8(10)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNEBDRULGFMSMLT-UHFFFAOYSA-N
XLogP2.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]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-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586203
2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
CID 114109652
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-(ethylamino)-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107420540
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 113480509
2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 63499362
2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide
CID 62175806
2-chloro-6-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179292
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide (CID 113464140) is 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide is CCNc1cc(C(=O)NCC2CC2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is NEBDRULGFMSMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-15-12-6-9(5-11(14)17-12)13(18)16-7-10-4-8(10)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113464140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).