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

C18H27N3O2 — CID 131922700

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1cc(C)nc(CN(C)C(=O)CCN2CCCCCC2=O)c1
InChIInChI=1S/C18H27N3O2/c1-14-11-15(2)19-16(12-14)13-20(3)17(22)8-10-21-9-6-4-5-7-18(21)23/h11-12H,4-10,13H2,1-3H3
InChIKeyRJWSGLYPEVPCOK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.45
Rot. Bonds5

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

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131922700) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131922700
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide
SMILESCc1cc(C)nc(CN(C)C(=O)CCN2CCCCCC2=O)c1
InChIInChI=1S/C18H27N3O2/c1-14-11-15(2)19-16(12-14)13-20(3)17(22)8-10-21-9-6-4-5-7-18(21)23/h11-12H,4-10,13H2,1-3H3
InChIKeyRJWSGLYPEVPCOK-UHFFFAOYSA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide 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-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97191951
N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131924744
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773707
N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91778052
N,2,6,8-tetramethyl-N-[2-(2-oxopiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 70708375
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 56882158
N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131944371
N-methyl-3-(2-oxopiperidin-1-yl)-N-[(1R)-1-pyrimidin-4-ylethyl]propanamide
CID 124757772
1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one
CID 72907484

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide (CID 131922700) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide is Cc1cc(C)nc(CN(C)C(=O)CCN2CCCCCC2=O)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is RJWSGLYPEVPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-11-15(2)19-16(12-14)13-20(3)17(22)8-10-21-9-6-4-5-7-18(21)23/h11-12H,4-10,13H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131922700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).