2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide

C14H14ClN3O — CID 61053761

IUPAC2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H14ClN3O/c1-10(11-5-8-16-9-6-11)18(2)14(19)12-4-3-7-17-13(12)15/h3-10H,1-2H3
InChIKeyLVFILLSUMUPPJL-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide

2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 61053761) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID61053761
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H14ClN3O/c1-10(11-5-8-16-9-6-11)18(2)14(19)12-4-3-7-17-13(12)15/h3-10H,1-2H3
InChIKeyLVFILLSUMUPPJL-UHFFFAOYSA-N
XLogP2.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)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

2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
5-chloro-2-(diethylamino)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95977161
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 61053761) is 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide is CC(c1ccncc1)N(C)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is LVFILLSUMUPPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10(11-5-8-16-9-6-11)18(2)14(19)12-4-3-7-17-13(12)15/h3-10H,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 61053761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).