2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide

C13H18ClN3O — CID 55041983

IUPAC2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCC2CCCC2)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(8-12(15)17-11)13(18)16-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H2,15,17)(H,16,18)
InChIKeyPVSNVHVLVGOFHZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.63
Rot. Bonds4

About 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide (PubChem CID 55041983) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
PubChem CID55041983
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCC2CCCC2)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O/c14-11-7-10(8-12(15)17-11)13(18)16-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H2,15,17)(H,16,18)
InChIKeyPVSNVHVLVGOFHZ-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.63
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-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947
6-amino-5-chloro-N-(2-cyclopentylethyl)pyridine-3-carboxamide
CID 62161812
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115631265
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
3-amino-N-(2-cyclohexylethyl)-4-hydroxybenzamide
CID 91584143
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide (CID 55041983) is 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCCC2CCCC2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
The InChIKey is PVSNVHVLVGOFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-7-10(8-12(15)17-11)13(18)16-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55041983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).