N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C14H19N5O2 — CID 56718919

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2ccc(C)[nH]c2=O)n1
InChIInChI=1S/C14H19N5O2/c1-9-5-6-12(14(21)16-9)13(20)15-7-4-8-19-11(3)17-10(2)18-19/h5-6H,4,7-8H2,1-3H3,(H,15,20)(H,16,21)
InChIKeyCTILFIAAWKTTLR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.71
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56718919) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56718919
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2ccc(C)[nH]c2=O)n1
InChIInChI=1S/C14H19N5O2/c1-9-5-6-12(14(21)16-9)13(20)15-7-4-8-19-11(3)17-10(2)18-19/h5-6H,4,7-8H2,1-3H3,(H,15,20)(H,16,21)
InChIKeyCTILFIAAWKTTLR-UHFFFAOYSA-N
XLogP0.71
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 56718919) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1nc(C)n(CCCNC(=O)c2ccc(C)[nH]c2=O)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CTILFIAAWKTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-5-6-12(14(21)16-9)13(20)15-7-4-8-19-11(3)17-10(2)18-19/h5-6H,4,7-8H2,1-3H3,(H,15,20)(H,16,21).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56718919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).