N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

C21H27N3O2 — CID 126446393

IUPACN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)n1C
InChIInChI=1S/C21H27N3O2/c1-16-11-19(25)12-20(23(16)2)21(26)22-13-18-9-6-10-24(15-18)14-17-7-4-3-5-8-17/h3-5,7-8,11-12,18H,6,9-10,13-15H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyVWKUCAXTMJHZAA-GOSISDBHSA-N
MW353.47 g/mol
LogP2.34
Rot. Bonds5

About N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (PubChem CID 126446393) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
PubChem CID126446393
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)n1C
InChIInChI=1S/C21H27N3O2/c1-16-11-19(25)12-20(23(16)2)21(26)22-13-18-9-6-10-24(15-18)14-17-7-4-3-5-8-17/h3-5,7-8,11-12,18H,6,9-10,13-15H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyVWKUCAXTMJHZAA-GOSISDBHSA-N
XLogP2.34
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
N-[(1-benzylpiperidin-3-yl)methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562636
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
N-[(1-benzylpiperidin-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877677
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 52521591

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (CID 126446393) is N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)n1C.
What is the InChIKey of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The InChIKey is VWKUCAXTMJHZAA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-11-19(25)12-20(23(16)2)21(26)22-13-18-9-6-10-24(15-18)14-17-7-4-3-5-8-17/h3-5,7-8,11-12,18H,6,9-10,13-15H2,1-2H3,(H,22,26)/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 126446393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).