N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide

C21H27N3O — CID 95829439

IUPACN-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCN1CCC[C@H](Cc2cncc(C(=O)N(C)Cc3ccccc3)c2)C1
InChIInChI=1S/C21H27N3O/c1-23-10-6-9-18(15-23)11-19-12-20(14-22-13-19)21(25)24(2)16-17-7-4-3-5-8-17/h3-5,7-8,12-14,18H,6,9-11,15-16H2,1-2H3/t18-/m1/s1
InChIKeyHMRMMQMCTRRBNT-GOSISDBHSA-N
MW337.47 g/mol
LogP3.24
Rot. Bonds5

About N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide

N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 95829439) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID95829439
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCN1CCC[C@H](Cc2cncc(C(=O)N(C)Cc3ccccc3)c2)C1
InChIInChI=1S/C21H27N3O/c1-23-10-6-9-18(15-23)11-19-12-20(14-22-13-19)21(25)24(2)16-17-7-4-3-5-8-17/h3-5,7-8,12-14,18H,6,9-11,15-16H2,1-2H3/t18-/m1/s1
InChIKeyHMRMMQMCTRRBNT-GOSISDBHSA-N
XLogP3.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide (CID 95829439) is N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide is CN1CCC[C@H](Cc2cncc(C(=O)N(C)Cc3ccccc3)c2)C1.
What is the InChIKey of N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is HMRMMQMCTRRBNT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O/c1-23-10-6-9-18(15-23)11-19-12-20(14-22-13-19)21(25)24(2)16-17-7-4-3-5-8-17/h3-5,7-8,12-14,18H,6,9-11,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95829439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).