N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide

C23H25N7O — CID 155359333

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
SMILESCC(C)C1=CN(c2cccc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)CN1
InChIInChI=1S/C23H25N7O/c1-15(2)20-12-29(13-24-20)18-6-3-5-16(11-18)23(31)27-21-8-4-7-19(26-21)22-28-25-14-30(22)17-9-10-17/h3-8,11-12,14-15,17,24H,9-10,13H2,1-2H3,(H,26,27,31)
InChIKeyKNUPJJZCHDTQNS-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.79
Rot. Bonds6

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide (PubChem CID 155359333) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
PubChem CID155359333
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
SMILESCC(C)C1=CN(c2cccc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)CN1
InChIInChI=1S/C23H25N7O/c1-15(2)20-12-29(13-24-20)18-6-3-5-16(11-18)23(31)27-21-8-4-7-19(26-21)22-28-25-14-30(22)17-9-10-17/h3-8,11-12,14-15,17,24H,9-10,13H2,1-2H3,(H,26,27,31)
InChIKeyKNUPJJZCHDTQNS-UHFFFAOYSA-N
XLogP3.79
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide
CID 66900603
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
CID 135347965
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-[4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]imidazol-1-yl]benzamide
CID 166690992
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135347920
1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 153449802
ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 118450800
phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
CID 171484382
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylsulfanylbenzamide
CID 135347980
4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
CID 58102941
3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 153449821
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
CID 138507474

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide (CID 155359333) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide is CC(C)C1=CN(c2cccc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)CN1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide?
The InChIKey is KNUPJJZCHDTQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-15(2)20-12-29(13-24-20)18-6-3-5-16(11-18)23(31)27-21-8-4-7-19(26-21)22-28-25-14-30(22)17-9-10-17/h3-8,11-12,14-15,17,24H,9-10,13H2,1-2H3,(H,26,27,31).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide is sourced from PubChem (CID 155359333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).