2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide

C19H19N5O2 — CID 75375595

IUPAC2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide
SMILESCc1ncc(C(=O)NCCC(=O)Nc2ccncc2)n1-c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-14-22-13-17(24(14)16-5-3-2-4-6-16)19(26)21-12-9-18(25)23-15-7-10-20-11-8-15/h2-8,10-11,13H,9,12H2,1H3,(H,21,26)(H,20,23,25)
InChIKeyZZPASEHAKSCUML-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.33
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide

2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide (PubChem CID 75375595) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide
PubChem CID75375595
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide
SMILESCc1ncc(C(=O)NCCC(=O)Nc2ccncc2)n1-c1ccccc1
InChIInChI=1S/C19H19N5O2/c1-14-22-13-17(24(14)16-5-3-2-4-6-16)19(26)21-12-9-18(25)23-15-7-10-20-11-8-15/h2-8,10-11,13H,9,12H2,1H3,(H,21,26)(H,20,23,25)
InChIKeyZZPASEHAKSCUML-UHFFFAOYSA-N
XLogP2.33
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2-methyl-3-phenylimidazole-4-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166422358
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-pyridin-4-ylimidazole-4-carboxamide
CID 153385922
3-(2-methylanilino)-N-pyridin-4-ylpropanamide
CID 47111734
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
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3-acetamido-N-phenylpropanamide
CID 7946185
7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
CID 119873088
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 788503
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
CID 146124225
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
4-methoxy-N-[3-oxo-3-(pyridin-2-ylamino)propyl]-1-phenylpyrazole-3-carboxamide
CID 47034464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide (CID 75375595) is 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide is Cc1ncc(C(=O)NCCC(=O)Nc2ccncc2)n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is ZZPASEHAKSCUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-14-22-13-17(24(14)16-5-3-2-4-6-16)19(26)21-12-9-18(25)23-15-7-10-20-11-8-15/h2-8,10-11,13H,9,12H2,1H3,(H,21,26)(H,20,23,25).
What are the key properties of 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide?
2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 75375595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).