N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide

C26H34N4O3 — CID 72704841

IUPACN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)cn1
InChIInChI=1S/C26H34N4O3/c1-33-24-11-10-21(17-27-24)26(32)29-23-9-5-6-19(16-23)18-30-14-12-20(13-15-30)25(31)28-22-7-3-2-4-8-22/h5-6,9-11,16-17,20,22H,2-4,7-8,12-15,18H2,1H3,(H,28,31)(H,29,32)
InChIKeyLYMWWKAMOAADAI-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.00
Rot. Bonds7

About N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide

N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide (PubChem CID 72704841) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
PubChem CID72704841
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)cn1
InChIInChI=1S/C26H34N4O3/c1-33-24-11-10-21(17-27-24)26(32)29-23-9-5-6-19(16-23)18-30-14-12-20(13-15-30)25(31)28-22-7-3-2-4-8-22/h5-6,9-11,16-17,20,22H,2-4,7-8,12-15,18H2,1H3,(H,28,31)(H,29,32)
InChIKeyLYMWWKAMOAADAI-UHFFFAOYSA-N
XLogP4.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-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

N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705225
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 118521906
N-[3-(hydroxymethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 60698682
N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
CID 154440815
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131909771
3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 95134565
3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 95134564
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
2-N-(1-benzylpiperidin-4-yl)-5-N-(3-phenylphenyl)pyridine-2,5-dicarboxamide
CID 66710236

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide (CID 72704841) is N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCCC4)CC3)c2)cn1.
What is the InChIKey of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is LYMWWKAMOAADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-33-24-11-10-21(17-27-24)26(32)29-23-9-5-6-19(16-23)18-30-14-12-20(13-15-30)25(31)28-22-7-3-2-4-8-22/h5-6,9-11,16-17,20,22H,2-4,7-8,12-15,18H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide?
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 72704841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).