2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide

C14H19ClN2O — CID 114107737

IUPAC2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC2CC2CC)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-3-5-11-6-10(8-13(15)16-11)14(18)17-12-7-9(12)4-2/h6,8-9,12H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyLJIVYVATBKFIBJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.22
Rot. Bonds5

About 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide

2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide (PubChem CID 114107737) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
PubChem CID114107737
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC2CC2CC)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-3-5-11-6-10(8-13(15)16-11)14(18)17-12-7-9(12)4-2/h6,8-9,12H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyLJIVYVATBKFIBJ-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.22
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-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
CID 114109652
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713551
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-propylpyridine-4-carboxamide
CID 114629350
2-amino-6-chloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 113246075
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 63499362
2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
CID 106120801
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide (CID 114107737) is 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NC2CC2CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide?
The InChIKey is LJIVYVATBKFIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-5-11-6-10(8-13(15)16-11)14(18)17-12-7-9(12)4-2/h6,8-9,12H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 114107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).