N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide

C22H26N4O3 — CID 164750645

IUPACN-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
SMILESCNC(=O)c1ccc(C2CCC(C)CN2C(=O)C(=O)Nc2cncc(C)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-14-4-9-19(16-5-7-17(8-6-16)20(27)23-3)26(13-14)22(29)21(28)25-18-10-15(2)11-24-12-18/h5-8,10-12,14,19H,4,9,13H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyLWYWBOFSQIKGJD-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.69
Rot. Bonds3

About N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide

N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide (PubChem CID 164750645) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
PubChem CID164750645
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide
SMILESCNC(=O)c1ccc(C2CCC(C)CN2C(=O)C(=O)Nc2cncc(C)c2)cc1
InChIInChI=1S/C22H26N4O3/c1-14-4-9-19(16-5-7-17(8-6-16)20(27)23-3)26(13-14)22(29)21(28)25-18-10-15(2)11-24-12-18/h5-8,10-12,14,19H,4,9,13H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyLWYWBOFSQIKGJD-UHFFFAOYSA-N
XLogP2.69
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide 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,5S)-2-(4-aminophenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164752180
2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382932
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 165081591
[4-[(2R,5S)-1-[2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164752749
5-[[2-[(2S,5R)-2-(3-chloro-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753165
5-[[2-[(2S,5R)-2-(4-fluoro-3-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750589
5-[[2-[(2S,5R)-5-methyl-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751359
5-[[2-[(2S,5R)-2-(3,4-dimethoxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753537
2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033207
(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164985933

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide?
The IUPAC name of N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide (CID 164750645) is N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide is CNC(=O)c1ccc(C2CCC(C)CN2C(=O)C(=O)Nc2cncc(C)c2)cc1.
What is the InChIKey of N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide?
The InChIKey is LWYWBOFSQIKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-4-9-19(16-5-7-17(8-6-16)20(27)23-3)26(13-14)22(29)21(28)25-18-10-15(2)11-24-12-18/h5-8,10-12,14,19H,4,9,13H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide?
N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-methyl-1-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetyl]piperidin-2-yl]benzamide is sourced from PubChem (CID 164750645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).