6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

C25H24ClN3O3 — CID 134799013

IUPAC6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC(NC(=O)c3ccc(Cl)nc3)CC2)cc1
InChIInChI=1S/C25H24ClN3O3/c1-32-22-5-3-2-4-21(22)17-6-8-18(9-7-17)25(31)29-14-12-20(13-15-29)28-24(30)19-10-11-23(26)27-16-19/h2-11,16,20H,12-15H2,1H3,(H,28,30)
InChIKeyDFSUWMUXWDAEJP-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.45
Rot. Bonds5

About 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 134799013) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID134799013
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)N2CCC(NC(=O)c3ccc(Cl)nc3)CC2)cc1
InChIInChI=1S/C25H24ClN3O3/c1-32-22-5-3-2-4-21(22)17-6-8-18(9-7-17)25(31)29-14-12-20(13-15-29)28-24(30)19-10-11-23(26)27-16-19/h2-11,16,20H,12-15H2,1H3,(H,28,30)
InChIKeyDFSUWMUXWDAEJP-UHFFFAOYSA-N
XLogP4.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 134799013) is 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)N2CCC(NC(=O)c3ccc(Cl)nc3)CC2)cc1.
What is the InChIKey of 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DFSUWMUXWDAEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-32-22-5-3-2-4-21(22)17-6-8-18(9-7-17)25(31)29-14-12-20(13-15-29)28-24(30)19-10-11-23(26)27-16-19/h2-11,16,20H,12-15H2,1H3,(H,28,30).
What are the key properties of 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[4-(2-methoxyphenyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134799013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).