2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide

C12H14Cl2N2O — CID 103737223

IUPAC2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-12(3-4-12)7-15-11(17)8-5-9(13)16-10(14)6-8/h5-6H,2-4,7H2,1H3,(H,15,17)
InChIKeyDGEAHRFFJBVZER-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.31
Rot. Bonds4

About 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 103737223) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID103737223
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-12(3-4-12)7-15-11(17)8-5-9(13)16-10(14)6-8/h5-6H,2-4,7H2,1H3,(H,15,17)
InChIKeyDGEAHRFFJBVZER-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.31
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-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 107257972
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103755954

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide (CID 103737223) is 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide is CCC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is DGEAHRFFJBVZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-2-12(3-4-12)7-15-11(17)8-5-9(13)16-10(14)6-8/h5-6H,2-4,7H2,1H3,(H,15,17).
What are the key properties of 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103737223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).