1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea

C15H22N4O — CID 110630952

IUPAC1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
SMILESCCC(C)NC(=O)NCCCc1ncc2ccccn12
InChIInChI=1S/C15H22N4O/c1-3-12(2)18-15(20)16-9-6-8-14-17-11-13-7-4-5-10-19(13)14/h4-5,7,10-12H,3,6,8-9H2,1-2H3,(H2,16,18,20)
InChIKeyMKMVCDSTQKIJCY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.36
Rot. Bonds6

About 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea

1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea (PubChem CID 110630952) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
PubChem CID110630952
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
SMILESCCC(C)NC(=O)NCCCc1ncc2ccccn12
InChIInChI=1S/C15H22N4O/c1-3-12(2)18-15(20)16-9-6-8-14-17-11-13-7-4-5-10-19(13)14/h4-5,7,10-12H,3,6,8-9H2,1-2H3,(H2,16,18,20)
InChIKeyMKMVCDSTQKIJCY-UHFFFAOYSA-N
XLogP2.36
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2,2-diphenylacetamide
CID 112500611
3-(4-chlorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2-methylpropanamide
CID 110309721
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
3-(4-fluorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)propanamide
CID 110630927
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
CID 110309684
1-benzoyl-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)piperidine-4-carboxamide
CID 110309713
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide
CID 110313770
N-(2-acetamidoethyl)-3-imidazo[1,5-a]pyridin-3-ylpropanamide
CID 110675061
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 110630969
2-(dimethylamino)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-phenylacetamide
CID 110630830
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110630950
1-(3-anilinopropyl)-3-[(2R)-butan-2-yl]urea
CID 95147782

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea?
The IUPAC name of 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea (CID 110630952) is 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea is CCC(C)NC(=O)NCCCc1ncc2ccccn12.
What is the InChIKey of 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea?
The InChIKey is MKMVCDSTQKIJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-12(2)18-15(20)16-9-6-8-14-17-11-13-7-4-5-10-19(13)14/h4-5,7,10-12H,3,6,8-9H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea?
1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea has a molecular weight of 274.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea is sourced from PubChem (CID 110630952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).