2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide

C19H25N5O — CID 128641810

IUPAC2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CC(C)N(C(=O)Nc3nc4n(n3)CCCC4)C2)cc1
InChIInChI=1S/C19H25N5O/c1-13-6-8-15(9-7-13)16-11-14(2)23(12-16)19(25)21-18-20-17-5-3-4-10-24(17)22-18/h6-9,14,16H,3-5,10-12H2,1-2H3,(H,21,22,25)
InChIKeyMCRVMTYNYGFWCO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.33
Rot. Bonds2

About 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide

2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 128641810) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
PubChem CID128641810
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C2CC(C)N(C(=O)Nc3nc4n(n3)CCCC4)C2)cc1
InChIInChI=1S/C19H25N5O/c1-13-6-8-15(9-7-13)16-11-14(2)23(12-16)19(25)21-18-20-17-5-3-4-10-24(17)22-18/h6-9,14,16H,3-5,10-12H2,1-2H3,(H,21,22,25)
InChIKeyMCRVMTYNYGFWCO-UHFFFAOYSA-N
XLogP3.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide (CID 128641810) is 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide is Cc1ccc(C2CC(C)N(C(=O)Nc3nc4n(n3)CCCC4)C2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is MCRVMTYNYGFWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-6-8-15(9-7-13)16-11-14(2)23(12-16)19(25)21-18-20-17-5-3-4-10-24(17)22-18/h6-9,14,16H,3-5,10-12H2,1-2H3,(H,21,22,25).
What are the key properties of 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide?
2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128641810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).