(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide

C24H28N4O — CID 52527257

IUPAC(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C24H28N4O/c1-27(16-19-7-5-13-25-15-19)17-20-8-6-14-28(18-20)24(29)26-23-12-4-10-21-9-2-3-11-22(21)23/h2-5,7,9-13,15,20H,6,8,14,16-18H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyVTJAJAIGHWSCPL-HXUWFJFHSA-N
MW388.51 g/mol
LogP4.61
Rot. Bonds5

About (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide

(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 52527257) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID52527257
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C24H28N4O/c1-27(16-19-7-5-13-25-15-19)17-20-8-6-14-28(18-20)24(29)26-23-12-4-10-21-9-2-3-11-22(21)23/h2-5,7,9-13,15,20H,6,8,14,16-18H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyVTJAJAIGHWSCPL-HXUWFJFHSA-N
XLogP4.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 129342529
(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129400820
(7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone
CID 166264806
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-isoquinolin-4-yl-2-oxoacetamide
CID 166186554
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]cycloheptane-1-carboxylic acid
CID 136552707
(2S)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-methylsulfanylbutan-1-one
CID 129401051
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one
CID 110106525

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 52527257) is (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide is CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is VTJAJAIGHWSCPL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27(16-19-7-5-13-25-15-19)17-20-8-6-14-28(18-20)24(29)26-23-12-4-10-21-9-2-3-11-22(21)23/h2-5,7,9-13,15,20H,6,8,14,16-18H2,1H3,(H,26,29)/t20-/m1/s1.
What are the key properties of (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide?
(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 52527257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).