N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C21H24N6O3 — CID 166206428

IUPACN-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(NC(=O)c3cccn4c(=O)[nH]nc34)cc2)C1
InChIInChI=1S/C21H24N6O3/c1-25-11-3-5-16(13-25)26(2)20(29)14-7-9-15(10-8-14)22-19(28)17-6-4-12-27-18(17)23-24-21(27)30/h4,6-10,12,16H,3,5,11,13H2,1-2H3,(H,22,28)(H,24,30)
InChIKeyQODAKCCMTJGYAQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.44
Rot. Bonds4

About N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 166206428) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID166206428
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(NC(=O)c3cccn4c(=O)[nH]nc34)cc2)C1
InChIInChI=1S/C21H24N6O3/c1-25-11-3-5-16(13-25)26(2)20(29)14-7-9-15(10-8-14)22-19(28)17-6-4-12-27-18(17)23-24-21(27)30/h4,6-10,12,16H,3,5,11,13H2,1-2H3,(H,22,28)(H,24,30)
InChIKeyQODAKCCMTJGYAQ-UHFFFAOYSA-N
XLogP1.44
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 166206428) is N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CN1CCCC(N(C)C(=O)c2ccc(NC(=O)c3cccn4c(=O)[nH]nc34)cc2)C1.
What is the InChIKey of N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is QODAKCCMTJGYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-25-11-3-5-16(13-25)26(2)20(29)14-7-9-15(10-8-14)22-19(28)17-6-4-12-27-18(17)23-24-21(27)30/h4,6-10,12,16H,3,5,11,13H2,1-2H3,(H,22,28)(H,24,30).
What are the key properties of N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 166206428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).