5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide

C13H18ClN3O — CID 114924528

IUPAC5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCC2CCC2)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O/c1-15-12-7-10(11(14)8-17-12)13(18)16-6-5-9-3-2-4-9/h7-9H,2-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyVAYNRYJJGQQZFL-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924528) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924528
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCC2CCC2)c(Cl)cn1
InChIInChI=1S/C13H18ClN3O/c1-15-12-7-10(11(14)8-17-12)13(18)16-6-5-9-3-2-4-9/h7-9H,2-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyVAYNRYJJGQQZFL-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)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

5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616
2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918550
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429
5-chloro-2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114923351
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924344
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide (CID 114924528) is 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCC2CCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is VAYNRYJJGQQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-15-12-7-10(11(14)8-17-12)13(18)16-6-5-9-3-2-4-9/h7-9H,2-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).