N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide

C14H21N3O3 — CID 140549493

IUPACN-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide
SMILESCCCCCCNC(=O)N1C(=O)C2=CCCCN2C1=O
InChIInChI=1S/C14H21N3O3/c1-2-3-4-6-9-15-13(19)17-12(18)11-8-5-7-10-16(11)14(17)20/h8H,2-7,9-10H2,1H3,(H,15,19)
InChIKeyJKHFHWVWKDPTPN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.22
Rot. Bonds5

About N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide

N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide (PubChem CID 140549493) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide
PubChem CID140549493
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide
SMILESCCCCCCNC(=O)N1C(=O)C2=CCCCN2C1=O
InChIInChI=1S/C14H21N3O3/c1-2-3-4-6-9-15-13(19)17-12(18)11-8-5-7-10-16(11)14(17)20/h8H,2-7,9-10H2,1H3,(H,15,19)
InChIKeyJKHFHWVWKDPTPN-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide (CID 140549493) is N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide is CCCCCCNC(=O)N1C(=O)C2=CCCCN2C1=O.
What is the InChIKey of N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
The InChIKey is JKHFHWVWKDPTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-3-4-6-9-15-13(19)17-12(18)11-8-5-7-10-16(11)14(17)20/h8H,2-7,9-10H2,1H3,(H,15,19).
What are the key properties of N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide?
N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-1,3-dioxo-6,7-dihydro-5H-imidazo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 140549493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).