N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide

C20H20N6O2 — CID 146650316

IUPACN-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)C2CNC2)nn1-c1ccccc1
InChIInChI=1S/C20H20N6O2/c1-13-7-5-6-10-16(13)18(28)23-20-24-19(22-17(27)14-11-21-12-14)25-26(20)15-8-3-2-4-9-15/h2-10,14,21H,11-12H2,1H3,(H2,22,23,24,25,27,28)
InChIKeyKKAFUOJBLXQWKM-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.99
Rot. Bonds5

About N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide

N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide (PubChem CID 146650316) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide
PubChem CID146650316
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)C2CNC2)nn1-c1ccccc1
InChIInChI=1S/C20H20N6O2/c1-13-7-5-6-10-16(13)18(28)23-20-24-19(22-17(27)14-11-21-12-14)25-26(20)15-8-3-2-4-9-15/h2-10,14,21H,11-12H2,1H3,(H2,22,23,24,25,27,28)
InChIKeyKKAFUOJBLXQWKM-UHFFFAOYSA-N
XLogP1.99
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 146649862
N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
CID 134472153
N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 146649994
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 146650376
N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 161064740
2-methyl-N-[5-(6-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 146650024
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
2-methyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 7354569
N-[1-[4-(azetidin-1-yl)phenyl]-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 160751029

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide?
The IUPAC name of N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide (CID 146650316) is N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide?
The canonical SMILES for N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide is Cc1ccccc1C(=O)Nc1nc(NC(=O)C2CNC2)nn1-c1ccccc1.
What is the InChIKey of N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide?
The InChIKey is KKAFUOJBLXQWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-7-5-6-10-16(13)18(28)23-20-24-19(22-17(27)14-11-21-12-14)25-26(20)15-8-3-2-4-9-15/h2-10,14,21H,11-12H2,1H3,(H2,22,23,24,25,27,28).
What are the key properties of N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide?
N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide is sourced from PubChem (CID 146650316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).