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

C30H31N5O3 — CID 58374610

IUPACN-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1OCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C30H31N5O3/c1-20-5-2-3-7-26(20)38-19-21-15-17-34(18-16-21)29(37)24-13-9-22(10-14-24)25-6-4-8-27-31-30(33-35(25)27)32-28(36)23-11-12-23/h2-10,13-14,21,23H,11-12,15-19H2,1H3,(H,32,33,36)
InChIKeyICVWXSGPJVHUMJ-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.98
Rot. Bonds7

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

N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374610) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374610
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC NameN-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1OCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C30H31N5O3/c1-20-5-2-3-7-26(20)38-19-21-15-17-34(18-16-21)29(37)24-13-9-22(10-14-24)25-6-4-8-27-31-30(33-35(25)27)32-28(36)23-11-12-23/h2-10,13-14,21,23H,11-12,15-19H2,1H3,(H,32,33,36)
InChIKeyICVWXSGPJVHUMJ-UHFFFAOYSA-N
XLogP4.98
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.98
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-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374610) is N-[5-[4-[4-[(2-methylphenoxy)methyl]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-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1ccccc1OCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ICVWXSGPJVHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3/c1-20-5-2-3-7-26(20)38-19-21-15-17-34(18-16-21)29(37)24-13-9-22(10-14-24)25-6-4-8-27-31-30(33-35(25)27)32-28(36)23-11-12-23/h2-10,13-14,21,23H,11-12,15-19H2,1H3,(H,32,33,36).
What are the key properties of N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-[(2-methylphenoxy)methyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).