N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C17H17N5O2 — CID 136521739

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCCn1cc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)ccc1=O
InChIInChI=1S/C17H17N5O2/c1-3-22-10-14(8-9-15(22)23)19-17(24)13-6-4-12(5-7-13)16-18-11-21(2)20-16/h4-11H,3H2,1-2H3,(H,19,24)
InChIKeyYBBUIVKTKTYVSK-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.92
Rot. Bonds4

About N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 136521739) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID136521739
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCCn1cc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)ccc1=O
InChIInChI=1S/C17H17N5O2/c1-3-22-10-14(8-9-15(22)23)19-17(24)13-6-4-12(5-7-13)16-18-11-21(2)20-16/h4-11H,3H2,1-2H3,(H,19,24)
InChIKeyYBBUIVKTKTYVSK-UHFFFAOYSA-N
XLogP1.92
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
CID 146323461
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 146323320
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzamide
CID 62677966
4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
CID 136521772
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 47255035
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260
6-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 63973346
4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
CID 65358234

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 136521739) is N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is CCn1cc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is YBBUIVKTKTYVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-22-10-14(8-9-15(22)23)19-17(24)13-6-4-12(5-7-13)16-18-11-21(2)20-16/h4-11H,3H2,1-2H3,(H,19,24).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 136521739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).