5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine

C44H46N12O5 — CID 161400284

IUPAC5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine
SMILESCC(CN)c1cn(C)c(-c2ccccc2)n1.Cc1nc(-c2cncc(C(=O)NCC(C)c3cn(C)c(-c4ccccc4)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1
InChIInChI=1S/C22H22N6O2.C13H17N3.C9H7N3O3/c1-14(19-13-28(3)21(26-19)16-7-5-4-6-8-16)10-24-22(29)18-9-17(11-23-12-18)20-25-15(2)30-27-20;1-10(8-14)12-9-16(2)13(15-12)11-6-4-3-5-7-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h4-9,11-14H,10H2,1-3H3,(H,24,29);3-7,9-10H,8,14H2,1-2H3;2-4H,1H3,(H,13,14)
InChIKeyVUDMYMOAWOAVRH-UHFFFAOYSA-N
MW822.93 g/mol
LogP6.66
Rot. Bonds11

About 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine

5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine (PubChem CID 161400284) has the molecular formula C44H46N12O5 and a molecular weight of 822.93 g/mol. Its IUPAC name is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine
PubChem CID161400284
Molecular FormulaC44H46N12O5
Molecular Weight822.93 g/mol
Exact Mass822.37
IUPAC Name5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine
SMILESCC(CN)c1cn(C)c(-c2ccccc2)n1.Cc1nc(-c2cncc(C(=O)NCC(C)c3cn(C)c(-c4ccccc4)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1
InChIInChI=1S/C22H22N6O2.C13H17N3.C9H7N3O3/c1-14(19-13-28(3)21(26-19)16-7-5-4-6-8-16)10-24-22(29)18-9-17(11-23-12-18)20-25-15(2)30-27-20;1-10(8-14)12-9-16(2)13(15-12)11-6-4-3-5-7-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h4-9,11-14H,10H2,1-3H3,(H,24,29);3-7,9-10H,8,14H2,1-2H3;2-4H,1H3,(H,13,14)
InChIKeyVUDMYMOAWOAVRH-UHFFFAOYSA-N
XLogP6.66
TPSA231.68 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500822.93
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Related Compounds

3-[3-[methyl-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[(3S)-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]-3-(pyridine-2-carbonylamino)butanoyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propyl]amino]propylcarbamoyl]benzoic acid
CID 90670659
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-5-(3-isobutyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 70785095
1-(3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)-N-(2-(pyrrolidin-1-yl)ethyl)piperidine-4-carboxamide
CID 49661680
1-(3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 49661674
2-{[3-(3-Phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl}nicotinic acid
CID 50967606
2-{2-Methyl-4-[5-(pyridin-3-YL)-1,2,4-oxadiazol-3-YL]-1H-imidazol-1-YL}-N-[(4-methylphenyl)methyl]acetamide
CID 53178066
N-(2-Ethylphenyl)-1-{3-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]pyridin-2-YL}-1H-imidazole-4-carboxamide
CID 53178592
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-N-(2-fluorobenzyl)-1H-imidazole-4-carboxamide
CID 53490037
(3,4-difluorophenyl)-[(3S)-3-[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;(6-fluoro-3-pyridinyl)-[(3S)-3-[5-[4-(trifluoromethyl)-1H-pyrrol-2-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 136367365
6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;molecular fluorine
CID 158821122
6-carbamoylimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline;3-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide;methane;molecular fluorine
CID 161420683
(4-fluorophenyl)-[(3S)-3-[3-(4-fluoro-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;3-(4-fluoro-1H-pyrrol-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 161933806

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine?
The IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine (CID 161400284) is 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine?
The canonical SMILES for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine is CC(CN)c1cn(C)c(-c2ccccc2)n1.Cc1nc(-c2cncc(C(=O)NCC(C)c3cn(C)c(-c4ccccc4)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.
What is the InChIKey of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine?
The InChIKey is VUDMYMOAWOAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2.C13H17N3.C9H7N3O3/c1-14(19-13-28(3)21(26-19)16-7-5-4-6-8-16)10-24-22(29)18-9-17(11-23-12-18)20-25-15(2)30-27-20;1-10(8-14)12-9-16(2)13(15-12)11-6-4-3-5-7-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h4-9,11-14H,10H2,1-3H3,(H,24,29);3-7,9-10H,8,14H2,1-2H3;2-4H,1H3,(H,13,14).
What are the key properties of 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine?
5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine has a molecular weight of 822.93 g/mol, XLogP of 6.66, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(1-methyl-2-phenylimidazol-4-yl)propyl]pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-(1-methyl-2-phenylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 161400284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).