N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

C17H25N5O2 — CID 172668001

IUPACN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)ccn(CCC(C)C)c2=O)nn1C
InChIInChI=1S/C17H25N5O2/c1-6-13-18-17(20-21(13)5)19-15(23)14-12(4)8-10-22(16(14)24)9-7-11(2)3/h8,10-11H,6-7,9H2,1-5H3,(H,19,20,23)
InChIKeyBIGQIVIVQPSFQJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.15
Rot. Bonds6

About N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172668001) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172668001
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)ccn(CCC(C)C)c2=O)nn1C
InChIInChI=1S/C17H25N5O2/c1-6-13-18-17(20-21(13)5)19-15(23)14-12(4)8-10-22(16(14)24)9-7-11(2)3/h8,10-11H,6-7,9H2,1-5H3,(H,19,20,23)
InChIKeyBIGQIVIVQPSFQJ-UHFFFAOYSA-N
XLogP2.15
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172668001) is N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is CCc1nc(NC(=O)c2c(C)ccn(CCC(C)C)c2=O)nn1C.
What is the InChIKey of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is BIGQIVIVQPSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-6-13-18-17(20-21(13)5)19-15(23)14-12(4)8-10-22(16(14)24)9-7-11(2)3/h8,10-11H,6-7,9H2,1-5H3,(H,19,20,23).
What are the key properties of N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172668001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).