2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide

C13H17ClN2O — CID 104952601

IUPAC2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2cc(C)nc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-3-13(4-5-13)8-15-12(17)10-6-9(2)16-11(14)7-10/h6-7H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyMZGVDLBHFCVOAB-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide

2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide (PubChem CID 104952601) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
PubChem CID104952601
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2cc(C)nc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c1-3-13(4-5-13)8-15-12(17)10-6-9(2)16-11(14)7-10/h6-7H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyMZGVDLBHFCVOAB-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
N-[(1-ethylcyclobutyl)methyl]-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114109679
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
2-amino-6-methyl-N-[(1-propylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114101909
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122
2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103755954
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide (CID 104952601) is 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide is CCC1(CNC(=O)c2cc(C)nc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is MZGVDLBHFCVOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-13(4-5-13)8-15-12(17)10-6-9(2)16-11(14)7-10/h6-7H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide?
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.96, 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-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 104952601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).