3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide

C26H24FN5O2 — CID 171799539

IUPAC3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide
SMILESCc1cc(N(C)C(=O)c2cc(C)c3ncn(-c4ccc(NC(=O)C5CC5)nc4)c3c2)ccc1F
InChIInChI=1S/C26H24FN5O2/c1-15-11-19(6-8-21(15)27)31(3)26(34)18-10-16(2)24-22(12-18)32(14-29-24)20-7-9-23(28-13-20)30-25(33)17-4-5-17/h6-14,17H,4-5H2,1-3H3,(H,28,30,33)
InChIKeyJLVJUFLZLGUECN-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.80
Rot. Bonds5

About 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide

3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide (PubChem CID 171799539) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide
PubChem CID171799539
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide
SMILESCc1cc(N(C)C(=O)c2cc(C)c3ncn(-c4ccc(NC(=O)C5CC5)nc4)c3c2)ccc1F
InChIInChI=1S/C26H24FN5O2/c1-15-11-19(6-8-21(15)27)31(3)26(34)18-10-16(2)24-22(12-18)32(14-29-24)20-7-9-23(28-13-20)30-25(33)17-4-5-17/h6-14,17H,4-5H2,1-3H3,(H,28,30,33)
InChIKeyJLVJUFLZLGUECN-UHFFFAOYSA-N
XLogP4.80
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

3-(4-acetamidophenyl)-N-(3,4-difluorophenyl)-N,7-dimethylbenzimidazole-5-carboxamide
CID 171799532
N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide
CID 171799527
methyl N-[5-[6-(7-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-4-methylbenzimidazol-1-yl]-2-pyridinyl]carbamate
CID 171799522
3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
CID 59607052
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 46390850
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 115268669
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-1-(2,4-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 99625384
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 113030505

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide (CID 171799539) is 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide is Cc1cc(N(C)C(=O)c2cc(C)c3ncn(-c4ccc(NC(=O)C5CC5)nc4)c3c2)ccc1F.
What is the InChIKey of 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
The InChIKey is JLVJUFLZLGUECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-15-11-19(6-8-21(15)27)31(3)26(34)18-10-16(2)24-22(12-18)32(14-29-24)20-7-9-23(28-13-20)30-25(33)17-4-5-17/h6-14,17H,4-5H2,1-3H3,(H,28,30,33).
What are the key properties of 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide?
3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 171799539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).