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

C18H27N5O2 — CID 172666099

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1c(C)ccn(CCC(C)C)c1=O
InChIInChI=1S/C18H27N5O2/c1-5-22-12-20-21-15(22)6-9-19-17(24)16-14(4)8-11-23(18(16)25)10-7-13(2)3/h8,11-13H,5-7,9-10H2,1-4H3,(H,19,24)
InChIKeyJPZXWHJECCIUFI-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.79
Rot. Bonds8

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

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172666099) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172666099
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1c(C)ccn(CCC(C)C)c1=O
InChIInChI=1S/C18H27N5O2/c1-5-22-12-20-21-15(22)6-9-19-17(24)16-14(4)8-11-23(18(16)25)10-7-13(2)3/h8,11-13H,5-7,9-10H2,1-4H3,(H,19,24)
InChIKeyJPZXWHJECCIUFI-UHFFFAOYSA-N
XLogP1.79
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172660059
4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 172660892
N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172668001
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172655426
N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172655796
N-(2-hydroxy-6-methylphenyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172665336
4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172669432
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172672641
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylbenzamide
CID 106301555
4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669382
1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 119058957

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172666099) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is CCn1cnnc1CCNC(=O)c1c(C)ccn(CCC(C)C)c1=O.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is JPZXWHJECCIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-22-12-20-21-15(22)6-9-19-17(24)16-14(4)8-11-23(18(16)25)10-7-13(2)3/h8,11-13H,5-7,9-10H2,1-4H3,(H,19,24).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172666099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).