N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H16N6O2 — CID 167992973

IUPACN-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)Cc1ccnc(NC(=O)c2ccc3n[nH]c(=O)n3c2)c1
InChIInChI=1S/C15H16N6O2/c1-20(2)8-10-5-6-16-12(7-10)17-14(22)11-3-4-13-18-19-15(23)21(13)9-11/h3-7,9H,8H2,1-2H3,(H,19,23)(H,16,17,22)
InChIKeyUOKSCYMWSBIZMC-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.73
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 167992973) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID167992973
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)Cc1ccnc(NC(=O)c2ccc3n[nH]c(=O)n3c2)c1
InChIInChI=1S/C15H16N6O2/c1-20(2)8-10-5-6-16-12(7-10)17-14(22)11-3-4-13-18-19-15(23)21(13)9-11/h3-7,9H,8H2,1-2H3,(H,19,23)(H,16,17,22)
InChIKeyUOKSCYMWSBIZMC-UHFFFAOYSA-N
XLogP0.73
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 167992973) is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(C)Cc1ccnc(NC(=O)c2ccc3n[nH]c(=O)n3c2)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is UOKSCYMWSBIZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-20(2)8-10-5-6-16-12(7-10)17-14(22)11-3-4-13-18-19-15(23)21(13)9-11/h3-7,9H,8H2,1-2H3,(H,19,23)(H,16,17,22).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 167992973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).