N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide

C19H20N4O — CID 156708310

IUPACN-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide
SMILESCC(CNC(=O)n1cnc(-c2cccnc2)c1)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-15(10-16-6-3-2-4-7-16)11-21-19(24)23-13-18(22-14-23)17-8-5-9-20-12-17/h2-9,12-15H,10-11H2,1H3,(H,21,24)
InChIKeyCEEDIADQJRBNFY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.38
Rot. Bonds5

About N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide

N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide (PubChem CID 156708310) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide
PubChem CID156708310
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide
SMILESCC(CNC(=O)n1cnc(-c2cccnc2)c1)Cc1ccccc1
InChIInChI=1S/C19H20N4O/c1-15(10-16-6-3-2-4-7-16)11-21-19(24)23-13-18(22-14-23)17-8-5-9-20-12-17/h2-9,12-15H,10-11H2,1H3,(H,21,24)
InChIKeyCEEDIADQJRBNFY-UHFFFAOYSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide
CID 166510499
(3-phenylpropylamino)-(4-pyridin-3-ylimidazol-1-yl)methanol
CID 167270018
methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
CID 86591825
(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
CID 67454284
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
methyl (2R)-3-phenyl-2-[(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl)amino]propanoate
CID 95100644
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide?
The IUPAC name of N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide (CID 156708310) is N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide.
What is the SMILES notation for N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide?
The canonical SMILES for N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide is CC(CNC(=O)n1cnc(-c2cccnc2)c1)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide?
The InChIKey is CEEDIADQJRBNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(10-16-6-3-2-4-7-16)11-21-19(24)23-13-18(22-14-23)17-8-5-9-20-12-17/h2-9,12-15H,10-11H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide?
N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide is sourced from PubChem (CID 156708310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).