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

C12H15N5O2 — CID 103718200

IUPACN,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2n[nH]c(C)n2)c[nH]1
InChIInChI=1S/C12H15N5O2/c1-7-4-10(18)9(5-13-7)12(19)17(3)6-11-14-8(2)15-16-11/h4-5H,6H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyNMYPLPLQDINPQW-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.38
Rot. Bonds3

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

N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103718200) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103718200
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2n[nH]c(C)n2)c[nH]1
InChIInChI=1S/C12H15N5O2/c1-7-4-10(18)9(5-13-7)12(19)17(3)6-11-14-8(2)15-16-11/h4-5H,6H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyNMYPLPLQDINPQW-UHFFFAOYSA-N
XLogP0.38
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779
4-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 64512374
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]benzoic acid
CID 64512373
2-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525861
N,6-dimethyl-4-oxo-N-(trimethylsilylmethyl)-1H-pyridine-3-carboxamide
CID 154765821
3,6-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridazine-4-carboxamide
CID 64512743
N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 64511976
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N,6-dimethyl-N-[(2-methylphenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696213
N-[(4-methoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696208
5-amino-2,3-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107185298

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103718200) is N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2n[nH]c(C)n2)c[nH]1.
What is the InChIKey of N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NMYPLPLQDINPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-4-10(18)9(5-13-7)12(19)17(3)6-11-14-8(2)15-16-11/h4-5H,6H2,1-3H3,(H,13,18)(H,14,15,16).
What are the key properties of N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103718200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).