3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one

C16H21N3O — CID 124906978

IUPAC3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(C)[C@@H](C)c2ccccn2)c(C)c1=O
InChIInChI=1S/C16H21N3O/c1-11-9-18-15(12(2)16(11)20)10-19(4)13(3)14-7-5-6-8-17-14/h5-9,13H,10H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyMNIWBAFSWSXXOB-ZDUSSCGKSA-N
MW271.36 g/mol
LogP2.58
Rot. Bonds4

About 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one (PubChem CID 124906978) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one
PubChem CID124906978
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(C)[C@@H](C)c2ccccn2)c(C)c1=O
InChIInChI=1S/C16H21N3O/c1-11-9-18-15(12(2)16(11)20)10-19(4)13(3)14-7-5-6-8-17-14/h5-9,13H,10H2,1-4H3,(H,18,20)/t13-/m0/s1
InChIKeyMNIWBAFSWSXXOB-ZDUSSCGKSA-N
XLogP2.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one with MolForge

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Related Compounds

2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
N-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 50983050
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 97314250
N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75417275
3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
CID 91829123
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
[4-methyl-6-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrimidin-2-yl]methanol
CID 138501521
(1R)-N-methyl-N-[(1-methylindol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 95133375
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
2-[3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]phenyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135882206

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one (CID 124906978) is 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN(C)[C@@H](C)c2ccccn2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one?
The InChIKey is MNIWBAFSWSXXOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-18-15(12(2)16(11)20)10-19(4)13(3)14-7-5-6-8-17-14/h5-9,13H,10H2,1-4H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl-[(1S)-1-pyridin-2-ylethyl]amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 124906978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).