N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide

C20H25N5O2 — CID 42362299

IUPACN-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
SMILESCc1cccc(C(=O)NC2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-13-3-2-4-14(11-13)19(26)21-16-7-9-17(10-8-16)25-12-18(23-24-25)20(27)22-15-5-6-15/h2-4,11-12,15-17H,5-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyXRSLIDKZBRZSBD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.39
Rot. Bonds5

About N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide

N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide (PubChem CID 42362299) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
PubChem CID42362299
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
SMILESCc1cccc(C(=O)NC2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-13-3-2-4-14(11-13)19(26)21-16-7-9-17(10-8-16)25-12-18(23-24-25)20(27)22-15-5-6-15/h2-4,11-12,15-17H,5-10H2,1H3,(H,21,26)(H,22,27)
InChIKeyXRSLIDKZBRZSBD-UHFFFAOYSA-N
XLogP2.39
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
CID 42376894
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-cyclooctyl-3-methylbenzamide
CID 966011
1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42430842
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
3-methyl-N-piperidin-1-ium-4-ylbenzamide
CID 7412122
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
cis-(1S,3R)-3-[[1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674914

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide (CID 42362299) is N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide is Cc1cccc(C(=O)NC2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c1.
What is the InChIKey of N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide?
The InChIKey is XRSLIDKZBRZSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-3-2-4-14(11-13)19(26)21-16-7-9-17(10-8-16)25-12-18(23-24-25)20(27)22-15-5-6-15/h2-4,11-12,15-17H,5-10H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide?
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 42362299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).