2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide

C12H17N3O2 — CID 55069206

IUPAC2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
SMILESCOC1CCCC1NC(=O)c1cccnc1N
InChIInChI=1S/C12H17N3O2/c1-17-10-6-2-5-9(10)15-12(16)8-4-3-7-14-11(8)13/h3-4,7,9-10H,2,5-6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyLWFDSDVZBRPHKJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide

2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide (PubChem CID 55069206) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
PubChem CID55069206
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
SMILESCOC1CCCC1NC(=O)c1cccnc1N
InChIInChI=1S/C12H17N3O2/c1-17-10-6-2-5-9(10)15-12(16)8-4-3-7-14-11(8)13/h3-4,7,9-10H,2,5-6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyLWFDSDVZBRPHKJ-UHFFFAOYSA-N
XLogP0.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide (CID 55069206) is 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide is COC1CCCC1NC(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
The InChIKey is LWFDSDVZBRPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-10-6-2-5-9(10)15-12(16)8-4-3-7-14-11(8)13/h3-4,7,9-10H,2,5-6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide?
2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxycyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 55069206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).