N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide

C15H22N4O — CID 91606822

IUPACN-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCCN2C=NCC2)cn1
InChIInChI=1S/C15H22N4O/c1-12(2)14-5-4-13(10-18-14)15(20)17-6-3-8-19-9-7-16-11-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyRZQGBGOBMJQSOJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.67
Rot. Bonds6

About N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide

N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 91606822) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide
PubChem CID91606822
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCCN2C=NCC2)cn1
InChIInChI=1S/C15H22N4O/c1-12(2)14-5-4-13(10-18-14)15(20)17-6-3-8-19-9-7-16-11-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyRZQGBGOBMJQSOJ-UHFFFAOYSA-N
XLogP1.67
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-6-propan-2-ylpyridine-3-carboxamide
CID 158554805
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56749613
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 119392462

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide (CID 91606822) is N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(=O)NCCCN2C=NCC2)cn1.
What is the InChIKey of N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RZQGBGOBMJQSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)14-5-4-13(10-18-14)15(20)17-6-3-8-19-9-7-16-11-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide?
N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydroimidazol-1-yl)propyl]-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 91606822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).