N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C20H26N4O2 — CID 146073569

IUPACN-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCC2CC2)c1
InChIInChI=1S/C20H26N4O2/c1-13-5-6-14(2)16(10-13)12-24-20(26)23-9-3-4-17(18(23)22-24)19(25)21-11-15-7-8-15/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3,(H,21,25)
InChIKeyDWMYDBOXFINSQU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.11
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 146073569) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID146073569
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCC2CC2)c1
InChIInChI=1S/C20H26N4O2/c1-13-5-6-14(2)16(10-13)12-24-20(26)23-9-3-4-17(18(23)22-24)19(25)21-11-15-7-8-15/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3,(H,21,25)
InChIKeyDWMYDBOXFINSQU-UHFFFAOYSA-N
XLogP2.11
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 146073569) is N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is DWMYDBOXFINSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-5-6-14(2)16(10-13)12-24-20(26)23-9-3-4-17(18(23)22-24)19(25)21-11-15-7-8-15/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 146073569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).