2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide

C26H30ClN5O3 — CID 3804624

IUPAC2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)c(C2CCN(C(=O)COc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C26H30ClN5O3/c1-19-6-7-23(26(34)29-10-3-12-31-15-11-28-18-31)25(30-19)20-8-13-32(14-9-20)24(33)17-35-22-5-2-4-21(27)16-22/h2,4-7,11,15-16,18,20H,3,8-10,12-14,17H2,1H3,(H,29,34)
InChIKeyITTRBLIYKMQJEY-UHFFFAOYSA-N
MW496.01 g/mol
LogP3.85
Rot. Bonds9

About 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide

2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide (PubChem CID 3804624) has the molecular formula C26H30ClN5O3 and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
PubChem CID3804624
Molecular FormulaC26H30ClN5O3
Molecular Weight496.01 g/mol
Exact Mass495.20
IUPAC Name2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)c(C2CCN(C(=O)COc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C26H30ClN5O3/c1-19-6-7-23(26(34)29-10-3-12-31-15-11-28-18-31)25(30-19)20-8-13-32(14-9-20)24(33)17-35-22-5-2-4-21(27)16-22/h2,4-7,11,15-16,18,20H,3,8-10,12-14,17H2,1H3,(H,29,34)
InChIKeyITTRBLIYKMQJEY-UHFFFAOYSA-N
XLogP3.85
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.01
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-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

2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3596851
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3789960
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 5010235
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3470783
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[2-(pent-3-enoylamino)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3310878
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 4994763
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3787919
2-[1-[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 74229207
2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 46044700
N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6177910
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069019
N-(4-imidazol-1-ylphenyl)-2-[1-[3-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3532984

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide (CID 3804624) is 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCn2ccnc2)c(C2CCN(C(=O)COc3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
The InChIKey is ITTRBLIYKMQJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O3/c1-19-6-7-23(26(34)29-10-3-12-31-15-11-28-18-31)25(30-19)20-8-13-32(14-9-20)24(33)17-35-22-5-2-4-21(27)16-22/h2,4-7,11,15-16,18,20H,3,8-10,12-14,17H2,1H3,(H,29,34).
What are the key properties of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide?
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide has a molecular weight of 496.01 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3804624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).