N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide

C30H37N3O2 — CID 42378840

IUPACN-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCOc1cccc(C[C@H](C2CCN(Cc3cc(C)ccc3C)CC2)N(C)C(=O)c2ccccn2)c1
InChIInChI=1S/C30H37N3O2/c1-22-11-12-23(2)26(18-22)21-33-16-13-25(14-17-33)29(20-24-8-7-9-27(19-24)35-4)32(3)30(34)28-10-5-6-15-31-28/h5-12,15,18-19,25,29H,13-14,16-17,20-21H2,1-4H3/t29-/m1/s1
InChIKeyMZLXBDMCSRBFHN-GDLZYMKVSA-N
MW471.65 g/mol
LogP5.30
Rot. Bonds8

About N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide

N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 42378840) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID42378840
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCOc1cccc(C[C@H](C2CCN(Cc3cc(C)ccc3C)CC2)N(C)C(=O)c2ccccn2)c1
InChIInChI=1S/C30H37N3O2/c1-22-11-12-23(2)26(18-22)21-33-16-13-25(14-17-33)29(20-24-8-7-9-27(19-24)35-4)32(3)30(34)28-10-5-6-15-31-28/h5-12,15,18-19,25,29H,13-14,16-17,20-21H2,1-4H3/t29-/m1/s1
InChIKeyMZLXBDMCSRBFHN-GDLZYMKVSA-N
XLogP5.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-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-[2-(3-methoxyphenyl)-1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethyl]-N-methylpyridine-2-carboxamide
CID 45177058
N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42368696
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26354113
N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42236931
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42539908
N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide
CID 42236999
1-[4-[(1S)-2-(3-methoxyphenyl)-1-[methyl(pyridin-2-ylmethyl)amino]ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 42277013
1-[4-[2-(3-methoxyphenyl)-1-[methyl(pyridin-2-ylmethyl)amino]ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45196977
N-[(1R)-1-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26317828
N-[(1S)-2-(3-methoxyphenyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]ethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 25365472
N-[(1R)-2-(3-methoxyphenyl)-1-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]ethyl]-N-methylfuran-2-carboxamide
CID 42213471

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide (CID 42378840) is N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide is COc1cccc(C[C@H](C2CCN(Cc3cc(C)ccc3C)CC2)N(C)C(=O)c2ccccn2)c1.
What is the InChIKey of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is MZLXBDMCSRBFHN-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-22-11-12-23(2)26(18-22)21-33-16-13-25(14-17-33)29(20-24-8-7-9-27(19-24)35-4)32(3)30(34)28-10-5-6-15-31-28/h5-12,15,18-19,25,29H,13-14,16-17,20-21H2,1-4H3/t29-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide?
N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 42378840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).