N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide

C22H24N4O — CID 70840036

IUPACN-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESN#CC=Cc1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1
InChIInChI=1S/C22H24N4O/c23-5-1-3-18-10-20-19(4-2-6-26(20)25-18)21(27)24-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-4,6,10,15-17H,7-9,11-14H2,(H,24,27)
InChIKeySRQINHPPJNOPEJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.82
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide

N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 70840036) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID70840036
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESN#CC=Cc1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1
InChIInChI=1S/C22H24N4O/c23-5-1-3-18-10-20-19(4-2-6-26(20)25-18)21(27)24-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-4,6,10,15-17H,7-9,11-14H2,(H,24,27)
InChIKeySRQINHPPJNOPEJ-UHFFFAOYSA-N
XLogP3.82
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide (CID 70840036) is N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide is N#CC=Cc1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1.
What is the InChIKey of N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is SRQINHPPJNOPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c23-5-1-3-18-10-20-19(4-2-6-26(20)25-18)21(27)24-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-4,6,10,15-17H,7-9,11-14H2,(H,24,27).
What are the key properties of N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(2-cyanoethenyl)pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 70840036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).