5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C21H24N4O3 — CID 167034329

IUPAC5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1[C@@H](C)CCC(c2ccccc2)N1C(=O)C(=O)Nc1cncc(C(N)=O)c1
InChIInChI=1S/C21H24N4O3/c1-13-8-9-18(15-6-4-3-5-7-15)25(14(13)2)21(28)20(27)24-17-10-16(19(22)26)11-23-12-17/h3-7,10-14,18H,8-9H2,1-2H3,(H2,22,26)(H,24,27)/t13-,14+,18?/m0/s1
InChIKeyMLWFNIBHIGHXHT-BWLUYJDISA-N
MW380.45 g/mol
LogP2.51
Rot. Bonds3

About 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 167034329) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID167034329
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@@H]1[C@@H](C)CCC(c2ccccc2)N1C(=O)C(=O)Nc1cncc(C(N)=O)c1
InChIInChI=1S/C21H24N4O3/c1-13-8-9-18(15-6-4-3-5-7-15)25(14(13)2)21(28)20(27)24-17-10-16(19(22)26)11-23-12-17/h3-7,10-14,18H,8-9H2,1-2H3,(H2,22,26)(H,24,27)/t13-,14+,18?/m0/s1
InChIKeyMLWFNIBHIGHXHT-BWLUYJDISA-N
XLogP2.51
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033734
5-[[2-[(2S,5R)-5-fluoro-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752106
5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 165082493
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
5-[[2-[(2S,5R)-5-methyl-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751359
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;4,5-dimethyl-2-phenylpiperidine;5-[[2-[(2R,4R,5R)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,4R,5S)-4,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 165015693
[4-[(2R,5S)-1-[2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164752749
5-[[2-[(2S,5R)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753284
5-[[2-[(2S,5R)-2-isoquinolin-6-yl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750849
5-[[2-[(2R,5R)-5-methyl-2-thiophen-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022590
5-[[2-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033075

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 167034329) is 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1[C@@H](C)CCC(c2ccccc2)N1C(=O)C(=O)Nc1cncc(C(N)=O)c1.
What is the InChIKey of 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is MLWFNIBHIGHXHT-BWLUYJDISA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-8-9-18(15-6-4-3-5-7-15)25(14(13)2)21(28)20(27)24-17-10-16(19(22)26)11-23-12-17/h3-7,10-14,18H,8-9H2,1-2H3,(H2,22,26)(H,24,27)/t13-,14+,18?/m0/s1.
What are the key properties of 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2R,3S)-2,3-dimethyl-6-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167034329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).