N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide

C23H22BrN3O3 — CID 112798153

IUPACN-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)c2ccccc12
InChIInChI=1S/C23H22BrN3O3/c1-30-20-10-9-19(17-6-2-3-7-18(17)20)23(29)27-12-4-5-15(14-27)22(28)26-21-11-8-16(24)13-25-21/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,25,26,28)
InChIKeyROZYGWMPPCXBLZ-UHFFFAOYSA-N
MW468.35 g/mol
LogP4.50
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 112798153) has the molecular formula C23H22BrN3O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID112798153
Molecular FormulaC23H22BrN3O3
Molecular Weight468.35 g/mol
Exact Mass467.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)c2ccccc12
InChIInChI=1S/C23H22BrN3O3/c1-30-20-10-9-19(17-6-2-3-7-18(17)20)23(29)27-12-4-5-15(14-27)22(28)26-21-11-8-16(24)13-25-21/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,25,26,28)
InChIKeyROZYGWMPPCXBLZ-UHFFFAOYSA-N
XLogP4.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
(3S)-N-(6-chloro-3-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 97000078
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931134
N-(3,5-difluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 42923438
N-(3-fluorophenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355150
N-(3-fluoro-4-methylphenyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 45355215
N-(5-bromo-2-pyridinyl)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856093
N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 55930749
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide (CID 112798153) is N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide is COc1ccc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)c2ccccc12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is ROZYGWMPPCXBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O3/c1-30-20-10-9-19(17-6-2-3-7-18(17)20)23(29)27-12-4-5-15(14-27)22(28)26-21-11-8-16(24)13-25-21/h2-3,6-11,13,15H,4-5,12,14H2,1H3,(H,25,26,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 468.35 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 112798153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).