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

C29H29N5O3 — CID 58374710

IUPACN-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C29H29N5O3/c35-26(22-11-12-22)31-28-30-25-8-4-7-24(34(25)32-28)21-9-13-23(14-10-21)27(36)33-17-15-29(37,16-18-33)19-20-5-2-1-3-6-20/h1-10,13-14,22,37H,11-12,15-19H2,(H,31,32,35)
InChIKeyIYABPPSTADZGPJ-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.95
Rot. Bonds6

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

N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374710) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374710
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C29H29N5O3/c35-26(22-11-12-22)31-28-30-25-8-4-7-24(34(25)32-28)21-9-13-23(14-10-21)27(36)33-17-15-29(37,16-18-33)19-20-5-2-1-3-6-20/h1-10,13-14,22,37H,11-12,15-19H2,(H,31,32,35)
InChIKeyIYABPPSTADZGPJ-UHFFFAOYSA-N
XLogP3.95
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374710) is N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(O)(Cc5ccccc5)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is IYABPPSTADZGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c35-26(22-11-12-22)31-28-30-25-8-4-7-24(34(25)32-28)21-9-13-23(14-10-21)27(36)33-17-15-29(37,16-18-33)19-20-5-2-1-3-6-20/h1-10,13-14,22,37H,11-12,15-19H2,(H,31,32,35).
What are the key properties of N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).