N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide

C12H16N2O2 — CID 103762861

IUPACN-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H16N2O2/c15-11-7-10(5-6-13-11)12(16)14-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,13,15)(H,14,16)
InChIKeyYGGHHHHEMOJUAO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.29
Rot. Bonds3

About N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide

N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103762861) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103762861
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H16N2O2/c15-11-7-10(5-6-13-11)12(16)14-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,13,15)(H,14,16)
InChIKeyYGGHHHHEMOJUAO-UHFFFAOYSA-N
XLogP1.29
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103762861) is N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide is O=C(NCC1CCCC1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is YGGHHHHEMOJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-7-10(5-6-13-11)12(16)14-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,13,15)(H,14,16).
What are the key properties of N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103762861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).