2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide

C13H18ClN3O — CID 114109652

IUPAC2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CC2CC)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-3-8-5-10(8)16-13(18)9-6-11(14)17-12(7-9)15-4-2/h6-8,10H,3-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUNWZTDVOEADDTN-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.70
Rot. Bonds5

About 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide (PubChem CID 114109652) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
PubChem CID114109652
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CC2CC)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c1-3-8-5-10(8)16-13(18)9-6-11(14)17-12(7-9)15-4-2/h6-8,10H,3-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUNWZTDVOEADDTN-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

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-ethylcyclohexyl)pyridine-4-carboxamide
CID 63499362
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
CID 114107737
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713551
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
CID 79872955
2-amino-6-chloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 113246075
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide (CID 114109652) is 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NC2CC2CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is UNWZTDVOEADDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-8-5-10(8)16-13(18)9-6-11(14)17-12(7-9)15-4-2/h6-8,10H,3-5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)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 2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114109652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).