N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H27N5O2 — CID 44625604

IUPACN-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC1CC(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C24H27N5O2/c1-15-12-16(2)14-28(13-15)23(31)19-10-6-17(7-11-19)20-4-3-5-21-25-24(27-29(20)21)26-22(30)18-8-9-18/h3-7,10-11,15-16,18H,8-9,12-14H2,1-2H3,(H,26,27,30)
InChIKeyHDFCYOSUFYOILA-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.86
Rot. Bonds4

About N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625604) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625604
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC1CC(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C24H27N5O2/c1-15-12-16(2)14-28(13-15)23(31)19-10-6-17(7-11-19)20-4-3-5-21-25-24(27-29(20)21)26-22(30)18-8-9-18/h3-7,10-11,15-16,18H,8-9,12-14H2,1-2H3,(H,26,27,30)
InChIKeyHDFCYOSUFYOILA-UHFFFAOYSA-N
XLogP3.86
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625604) is N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC1CC(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.
What is the InChIKey of N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is HDFCYOSUFYOILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-12-16(2)14-28(13-15)23(31)19-10-6-17(7-11-19)20-4-3-5-21-25-24(27-29(20)21)26-22(30)18-8-9-18/h3-7,10-11,15-16,18H,8-9,12-14H2,1-2H3,(H,26,27,30).
What are the key properties of N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).