(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide

C21H28N4O — CID 95223621

IUPAC(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)[C@]1(C)CCCNC1
InChIInChI=1S/C21H28N4O/c1-21(11-7-12-22-16-21)20(26)24-14-18-10-6-13-23-19(18)25(2)15-17-8-4-3-5-9-17/h3-6,8-10,13,22H,7,11-12,14-16H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyKTKXJYYCDPBFOO-OAQYLSRUSA-N
MW352.48 g/mol
LogP2.72
Rot. Bonds6

About (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide

(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 95223621) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
PubChem CID95223621
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)[C@]1(C)CCCNC1
InChIInChI=1S/C21H28N4O/c1-21(11-7-12-22-16-21)20(26)24-14-18-10-6-13-23-19(18)25(2)15-17-8-4-3-5-9-17/h3-6,8-10,13,22H,7,11-12,14-16H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyKTKXJYYCDPBFOO-OAQYLSRUSA-N
XLogP2.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 45192521
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide (CID 95223621) is (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide is CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@]1(C)CCCNC1.
What is the InChIKey of (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is KTKXJYYCDPBFOO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N4O/c1-21(11-7-12-22-16-21)20(26)24-14-18-10-6-13-23-19(18)25(2)15-17-8-4-3-5-9-17/h3-6,8-10,13,22H,7,11-12,14-16H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide?
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95223621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).