N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide

C23H24N4O — CID 122564926

IUPACN-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1[nH]nc(C2CC2)c1-c1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1
InChIInChI=1S/C23H24N4O/c1-15-21(22(26-25-15)18-6-7-18)17-4-8-19(9-5-17)23(28)27(20-10-11-20)14-16-3-2-12-24-13-16/h2-5,8-9,12-13,18,20H,6-7,10-11,14H2,1H3,(H,25,26)
InChIKeyGGTBITKDDVLMGQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.46
Rot. Bonds6

About N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide

N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 122564926) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID122564926
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1[nH]nc(C2CC2)c1-c1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1
InChIInChI=1S/C23H24N4O/c1-15-21(22(26-25-15)18-6-7-18)17-4-8-19(9-5-17)23(28)27(20-10-11-20)14-16-3-2-12-24-13-16/h2-5,8-9,12-13,18,20H,6-7,10-11,14H2,1H3,(H,25,26)
InChIKeyGGTBITKDDVLMGQ-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324
cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate
CID 15380716
N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39881162
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 75133203
N-cyclopropyl-3-(3-methylphenyl)-6-(1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 123398180
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 122564926) is N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide is Cc1[nH]nc(C2CC2)c1-c1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GGTBITKDDVLMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-21(22(26-25-15)18-6-7-18)17-4-8-19(9-5-17)23(28)27(20-10-11-20)14-16-3-2-12-24-13-16/h2-5,8-9,12-13,18,20H,6-7,10-11,14H2,1H3,(H,25,26).
What are the key properties of N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide?
N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 122564926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).