N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C14H16N4O2 — CID 71941121

IUPACN-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C14H16N4O2/c19-13(16-5-7-18-6-4-15-9-18)11-8-10-2-1-3-12(10)17-14(11)20/h4,6,8-9H,1-3,5,7H2,(H,16,19)(H,17,20)
InChIKeyNBHDETMNGRKTMI-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.49
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71941121) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71941121
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C14H16N4O2/c19-13(16-5-7-18-6-4-15-9-18)11-8-10-2-1-3-12(10)17-14(11)20/h4,6,8-9H,1-3,5,7H2,(H,16,19)(H,17,20)
InChIKeyNBHDETMNGRKTMI-UHFFFAOYSA-N
XLogP0.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71941121) is N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NCCn1ccnc1)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is NBHDETMNGRKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(16-5-7-18-6-4-15-9-18)11-8-10-2-1-3-12(10)17-14(11)20/h4,6,8-9H,1-3,5,7H2,(H,16,19)(H,17,20).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71941121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).