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

C12H15N5O2 — CID 103717599

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H15N5O2/c1-3-17-7-15-16-11(17)6-14-12(19)9-5-13-8(2)4-10(9)18/h4-5,7H,3,6H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyRLTFDIWTVIBLGA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.22
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103717599) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103717599
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H15N5O2/c1-3-17-7-15-16-11(17)6-14-12(19)9-5-13-8(2)4-10(9)18/h4-5,7H,3,6H2,1-2H3,(H,13,18)(H,14,19)
InChIKeyRLTFDIWTVIBLGA-UHFFFAOYSA-N
XLogP0.22
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717543
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103706853
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
CID 106303592
5-amino-2-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301570
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114170961
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103616637
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47210781
3-amino-5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301578
6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 106304155
5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106304123
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
6-methyl-4-oxo-N-(1,3-thiazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 104579123

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103717599) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCn1cnnc1CNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RLTFDIWTVIBLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-17-7-15-16-11(17)6-14-12(19)9-5-13-8(2)4-10(9)18/h4-5,7H,3,6H2,1-2H3,(H,13,18)(H,14,19).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).