N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide

C19H19N5O2 — CID 121116890

IUPACN-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)NCc1ccccc1
InChIInChI=1S/C19H19N5O2/c25-17(21-11-14-5-2-1-3-6-14)13-23-19(26)24(16-8-9-16)18(22-23)15-7-4-10-20-12-15/h1-7,10,12,16H,8-9,11,13H2,(H,21,25)
InChIKeyXVCNMHDQJNQPOW-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.76
Rot. Bonds6

About N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide

N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide (PubChem CID 121116890) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
PubChem CID121116890
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)NCc1ccccc1
InChIInChI=1S/C19H19N5O2/c25-17(21-11-14-5-2-1-3-6-14)13-23-19(26)24(16-8-9-16)18(22-23)15-7-4-10-20-12-15/h1-7,10,12,16H,8-9,11,13H2,(H,21,25)
InChIKeyXVCNMHDQJNQPOW-UHFFFAOYSA-N
XLogP1.76
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011772
4-cyclopropyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 121116894
2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 121116842
ethyl 2-[[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetyl]amino]benzoate
CID 121116875
1-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea
CID 121116600
1-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121116601
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide
CID 121116503
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-methylbenzamide
CID 121116419
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-5-nitrofuran-2-carboxamide
CID 121116520
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121116507
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 121116474
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide (CID 121116890) is N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide is O=C(Cn1nc(-c2cccnc2)n(C2CC2)c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is XVCNMHDQJNQPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-17(21-11-14-5-2-1-3-6-14)13-23-19(26)24(16-8-9-16)18(22-23)15-7-4-10-20-12-15/h1-7,10,12,16H,8-9,11,13H2,(H,21,25).
What are the key properties of N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide?
N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 121116890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).