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

C30H31N5O2 — CID 44625290

IUPACN-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(CCc5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C30H31N5O2/c36-28(24-13-14-24)32-30-31-27-8-4-7-26(35(27)33-30)23-11-15-25(16-12-23)29(37)34-19-17-22(18-20-34)10-9-21-5-2-1-3-6-21/h1-8,11-12,15-16,22,24H,9-10,13-14,17-20H2,(H,32,33,36)
InChIKeyVNSCXUBNYAKWST-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.23
Rot. Bonds7

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

N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625290) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625290
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC NameN-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(CCc5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C30H31N5O2/c36-28(24-13-14-24)32-30-31-27-8-4-7-26(35(27)33-30)23-11-15-25(16-12-23)29(37)34-19-17-22(18-20-34)10-9-21-5-2-1-3-6-21/h1-8,11-12,15-16,22,24H,9-10,13-14,17-20H2,(H,32,33,36)
InChIKeyVNSCXUBNYAKWST-UHFFFAOYSA-N
XLogP5.23
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625290) is N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(CCc5ccccc5)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is VNSCXUBNYAKWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c36-28(24-13-14-24)32-30-31-27-8-4-7-26(35(27)33-30)23-11-15-25(16-12-23)29(37)34-19-17-22(18-20-34)10-9-21-5-2-1-3-6-21/h1-8,11-12,15-16,22,24H,9-10,13-14,17-20H2,(H,32,33,36).
What are the key properties of N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 493.61 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-(2-phenylethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).