N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

C24H32N4O3 — CID 92635600

IUPACN-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESC[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C24H32N4O3/c1-18(15-19-7-10-21(11-8-19)26(2)3)25-24(31)20-9-12-22(29)28(16-20)17-23(30)27-13-5-4-6-14-27/h7-12,16,18H,4-6,13-15,17H2,1-3H3,(H,25,31)/t18-/m1/s1
InChIKeyWWSYADCCSLUGMI-GOSISDBHSA-N
MW424.55 g/mol
LogP2.29
Rot. Bonds7

About N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 92635600) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID92635600
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESC[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C24H32N4O3/c1-18(15-19-7-10-21(11-8-19)26(2)3)25-24(31)20-9-12-22(29)28(16-20)17-23(30)27-13-5-4-6-14-27/h7-12,16,18H,4-6,13-15,17H2,1-3H3,(H,25,31)/t18-/m1/s1
InChIKeyWWSYADCCSLUGMI-GOSISDBHSA-N
XLogP2.29
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide
CID 92635382
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635560
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635725
6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635716
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 92634631
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 94177179
N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92634467
1-[2-(azepan-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 7828944
N-[[4-(dimethylamino)phenyl]methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 47078545
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 92635600) is N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is WWSYADCCSLUGMI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18(15-19-7-10-21(11-8-19)26(2)3)25-24(31)20-9-12-22(29)28(16-20)17-23(30)27-13-5-4-6-14-27/h7-12,16,18H,4-6,13-15,17H2,1-3H3,(H,25,31)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 92635600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).