N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

C17H25N3O2 — CID 91760078

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1cc(C)c(CNC(=O)CCCN2CCCCC2=O)cn1
InChIInChI=1S/C17H25N3O2/c1-13-10-14(2)18-11-15(13)12-19-16(21)6-5-9-20-8-4-3-7-17(20)22/h10-11H,3-9,12H2,1-2H3,(H,19,21)
InChIKeyQUQOYKOFOPJKFV-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.11
Rot. Bonds6

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 91760078) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID91760078
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1cc(C)c(CNC(=O)CCCN2CCCCC2=O)cn1
InChIInChI=1S/C17H25N3O2/c1-13-10-14(2)18-11-15(13)12-19-16(21)6-5-9-20-8-4-3-7-17(20)22/h10-11H,3-9,12H2,1-2H3,(H,19,21)
InChIKeyQUQOYKOFOPJKFV-UHFFFAOYSA-N
XLogP2.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide 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

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 42245388
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131897807
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838331
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131909097
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 91842420
3-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 78791575
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131910183

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 91760078) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is Cc1cc(C)c(CNC(=O)CCCN2CCCCC2=O)cn1.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is QUQOYKOFOPJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-10-14(2)18-11-15(13)12-19-16(21)6-5-9-20-8-4-3-7-17(20)22/h10-11H,3-9,12H2,1-2H3,(H,19,21).
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 303.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 91760078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).