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

C25H33N3O3 — CID 46068524

IUPACN-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-17(2)14-23(29)28-12-10-20(11-13-28)24-22(9-8-18(3)27-24)25(30)26-16-19-6-5-7-21(15-19)31-4/h5-9,15,17,20H,10-14,16H2,1-4H3,(H,26,30)
InChIKeyBNWUNBVJXSEWAQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.08
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46068524) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46068524
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-17(2)14-23(29)28-12-10-20(11-13-28)24-22(9-8-18(3)27-24)25(30)26-16-19-6-5-7-21(15-19)31-4/h5-9,15,17,20H,10-14,16H2,1-4H3,(H,26,30)
InChIKeyBNWUNBVJXSEWAQ-UHFFFAOYSA-N
XLogP4.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069019
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247769
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92637888
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 83287460
2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068698

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 46068524) is N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide is COc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is BNWUNBVJXSEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-17(2)14-23(29)28-12-10-20(11-13-28)24-22(9-8-18(3)27-24)25(30)26-16-19-6-5-7-21(15-19)31-4/h5-9,15,17,20H,10-14,16H2,1-4H3,(H,26,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46068524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).