N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide

C21H26ClN3O2 — CID 97275485

IUPACN-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C21H26ClN3O2/c1-24(21(27)19-5-2-6-20(26)23-19)14-17-4-3-12-25(15-17)13-11-16-7-9-18(22)10-8-16/h2,5-10,17H,3-4,11-15H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyBRJZMYSAIBMVGL-KRWDZBQOSA-N
MW387.91 g/mol
LogP3.06
Rot. Bonds6

About N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide

N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 97275485) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID97275485
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C21H26ClN3O2/c1-24(21(27)19-5-2-6-20(26)23-19)14-17-4-3-12-25(15-17)13-11-16-7-9-18(22)10-8-16/h2,5-10,17H,3-4,11-15H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyBRJZMYSAIBMVGL-KRWDZBQOSA-N
XLogP3.06
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
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N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
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N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-(1H-pyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 97275485) is N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide is CN(C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is BRJZMYSAIBMVGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-24(21(27)19-5-2-6-20(26)23-19)14-17-4-3-12-25(15-17)13-11-16-7-9-18(22)10-8-16/h2,5-10,17H,3-4,11-15H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide?
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 97275485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).