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

C29H27N5O3 — CID 44625776

IUPACN-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(C(=O)c5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C29H27N5O3/c35-26(20-5-2-1-3-6-20)21-15-17-33(18-16-21)28(37)23-13-9-19(10-14-23)24-7-4-8-25-30-29(32-34(24)25)31-27(36)22-11-12-22/h1-10,13-14,21-22H,11-12,15-18H2,(H,31,32,36)
InChIKeyAXDXCUSRZGKBKC-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.48
Rot. Bonds6

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

N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625776) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625776
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC NameN-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(C(=O)c5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C29H27N5O3/c35-26(20-5-2-1-3-6-20)21-15-17-33(18-16-21)28(37)23-13-9-19(10-14-23)24-7-4-8-25-30-29(32-34(24)25)31-27(36)22-11-12-22/h1-10,13-14,21-22H,11-12,15-18H2,(H,31,32,36)
InChIKeyAXDXCUSRZGKBKC-UHFFFAOYSA-N
XLogP4.48
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625776) is N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(C(=O)c5ccccc5)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is AXDXCUSRZGKBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c35-26(20-5-2-1-3-6-20)21-15-17-33(18-16-21)28(37)23-13-9-19(10-14-23)24-7-4-8-25-30-29(32-34(24)25)31-27(36)22-11-12-22/h1-10,13-14,21-22H,11-12,15-18H2,(H,31,32,36).
What are the key properties of N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 493.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-benzoylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).