2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide

C13H17ClN2O — CID 103741389

IUPAC2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2ccnc(Cl)c2)CCC1
InChIInChI=1S/C13H17ClN2O/c1-2-13(5-3-6-13)9-16-12(17)10-4-7-15-11(14)8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyNTBUCRPCGCSJFT-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide

2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide (PubChem CID 103741389) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
PubChem CID103741389
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2ccnc(Cl)c2)CCC1
InChIInChI=1S/C13H17ClN2O/c1-2-13(5-3-6-13)9-16-12(17)10-4-7-15-11(14)8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,16,17)
InChIKeyNTBUCRPCGCSJFT-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103755954
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
4-chloro-N-[(1-ethylcyclobutyl)methyl]-3-nitrobenzamide
CID 103741375
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
N-[(1-ethylcyclobutyl)methyl]-1H-indazole-6-carboxamide
CID 103741467
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
CID 104844550
3-bromo-N-[(1-ethylcyclobutyl)methyl]-4-methoxybenzamide
CID 103741367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide (CID 103741389) is 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide is CCC1(CNC(=O)c2ccnc(Cl)c2)CCC1.
What is the InChIKey of 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide?
The InChIKey is NTBUCRPCGCSJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-13(5-3-6-13)9-16-12(17)10-4-7-15-11(14)8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide?
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103741389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).