1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide

C14H16N6O3 — CID 166230701

IUPAC1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
SMILESCn1c(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)cccc1=O
InChIInChI=1S/C14H16N6O3/c1-19-9(5-4-6-10(19)21)13(22)15-12-11(16-18-17-12)14(23)20-7-2-3-8-20/h4-6H,2-3,7-8H2,1H3,(H2,15,16,17,18,22)
InChIKeyDGOJDPZVLKALGL-UHFFFAOYSA-N
MW316.32 g/mol
LogP-0.01
Rot. Bonds3

About 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide

1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide (PubChem CID 166230701) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
PubChem CID166230701
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
SMILESCn1c(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)cccc1=O
InChIInChI=1S/C14H16N6O3/c1-19-9(5-4-6-10(19)21)13(22)15-12-11(16-18-17-12)14(23)20-7-2-3-8-20/h4-6H,2-3,7-8H2,1H3,(H2,15,16,17,18,22)
InChIKeyDGOJDPZVLKALGL-UHFFFAOYSA-N
XLogP-0.01
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide (CID 166230701) is 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide is Cn1c(C(=O)Nc2n[nH]nc2C(=O)N2CCCC2)cccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide?
The InChIKey is DGOJDPZVLKALGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c1-19-9(5-4-6-10(19)21)13(22)15-12-11(16-18-17-12)14(23)20-7-2-3-8-20/h4-6H,2-3,7-8H2,1H3,(H2,15,16,17,18,22).
What are the key properties of 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide?
1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166230701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).