N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C21H27N3O3 — CID 25374475

IUPACN-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cccc(CN2CCC[C@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)c1
InChIInChI=1S/C21H27N3O3/c1-14-10-15(2)22-20(25)19(14)21(26)23-17-7-5-9-24(13-17)12-16-6-4-8-18(11-16)27-3/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyYXVXBNRIYFALHM-KRWDZBQOSA-N
MW369.47 g/mol
LogP2.39
Rot. Bonds5

About N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 25374475) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID25374475
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1cccc(CN2CCC[C@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)c1
InChIInChI=1S/C21H27N3O3/c1-14-10-15(2)22-20(25)19(14)21(26)23-17-7-5-9-24(13-17)12-16-6-4-8-18(11-16)27-3/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyYXVXBNRIYFALHM-KRWDZBQOSA-N
XLogP2.39
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 45210664
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 45187769
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56902955
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
methyl 2-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]amino]-6-methylpyrimidine-4-carboxylate
CID 70730726
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55946095
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 96526370

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 25374475) is N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is COc1cccc(CN2CCC[C@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)c1.
What is the InChIKey of N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YXVXBNRIYFALHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-10-15(2)22-20(25)19(14)21(26)23-17-7-5-9-24(13-17)12-16-6-4-8-18(11-16)27-3/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25374475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).