4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide

C22H30N2O2 — CID 11725697

IUPAC4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CCCc2ccc(=O)n(C)c2)cc1)C(C)C
InChIInChI=1S/C22H30N2O2/c1-16(2)24(17(3)4)22(26)20-12-9-18(10-13-20)7-6-8-19-11-14-21(25)23(5)15-19/h9-17H,6-8H2,1-5H3
InChIKeyRWLXRLWTGLBSGS-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.82
Rot. Bonds7

About 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide

4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 11725697) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide
PubChem CID11725697
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(CCCc2ccc(=O)n(C)c2)cc1)C(C)C
InChIInChI=1S/C22H30N2O2/c1-16(2)24(17(3)4)22(26)20-12-9-18(10-13-20)7-6-8-19-11-14-21(25)23(5)15-19/h9-17H,6-8H2,1-5H3
InChIKeyRWLXRLWTGLBSGS-UHFFFAOYSA-N
XLogP3.82
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide with MolForge

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Related Compounds

4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]-N,N-di(propan-2-yl)benzamide
CID 57341782
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
2-methyl-3-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119227833
N-[3-(4-methoxyphenyl)propyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 77089921
N,1-dimethyl-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 75461380
4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
CID 10591223
[4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenylphosphanium bromide
CID 10393031
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310
4-[3-[methyl(propan-2-yl)amino]propyl]benzoic acid
CID 20738362
3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
CID 110730559
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide (CID 11725697) is 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(CCCc2ccc(=O)n(C)c2)cc1)C(C)C.
What is the InChIKey of 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is RWLXRLWTGLBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16(2)24(17(3)4)22(26)20-12-9-18(10-13-20)7-6-8-19-11-14-21(25)23(5)15-19/h9-17H,6-8H2,1-5H3.
What are the key properties of 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide?
4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 354.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 11725697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).