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

C28H27N5O2 — CID 44625285

IUPACN-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(c5ccccc5)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C28H27N5O2/c34-26(21-13-14-21)30-28-29-25-10-4-9-24(33(25)31-28)20-11-15-22(16-12-20)27(35)32-17-5-8-23(18-32)19-6-2-1-3-7-19/h1-4,6-7,9-12,15-16,21,23H,5,8,13-14,17-18H2,(H,30,31,34)
InChIKeyKOSZYMBNBMMNLM-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.76
Rot. Bonds5

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

N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625285) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625285
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC NameN-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(c5ccccc5)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C28H27N5O2/c34-26(21-13-14-21)30-28-29-25-10-4-9-24(33(25)31-28)20-11-15-22(16-12-20)27(35)32-17-5-8-23(18-32)19-6-2-1-3-7-19/h1-4,6-7,9-12,15-16,21,23H,5,8,13-14,17-18H2,(H,30,31,34)
InChIKeyKOSZYMBNBMMNLM-UHFFFAOYSA-N
XLogP4.76
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.76
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-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625285) is N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC(c5ccccc5)C4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is KOSZYMBNBMMNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c34-26(21-13-14-21)30-28-29-25-10-4-9-24(33(25)31-28)20-11-15-22(16-12-20)27(35)32-17-5-8-23(18-32)19-6-2-1-3-7-19/h1-4,6-7,9-12,15-16,21,23H,5,8,13-14,17-18H2,(H,30,31,34).
What are the key properties of N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).