1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one

C14H22N4O — CID 77082192

IUPAC1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
SMILESCN1CCN(Cc2ccc(N(C)C)nc2)CCC1=O
InChIInChI=1S/C14H22N4O/c1-16(2)13-5-4-12(10-15-13)11-18-7-6-14(19)17(3)8-9-18/h4-5,10H,6-9,11H2,1-3H3
InChIKeyIXIJARLDRHHKKW-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.81
Rot. Bonds3

About 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one

1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one (PubChem CID 77082192) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
PubChem CID77082192
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
SMILESCN1CCN(Cc2ccc(N(C)C)nc2)CCC1=O
InChIInChI=1S/C14H22N4O/c1-16(2)13-5-4-12(10-15-13)11-18-7-6-14(19)17(3)8-9-18/h4-5,10H,6-9,11H2,1-3H3
InChIKeyIXIJARLDRHHKKW-UHFFFAOYSA-N
XLogP0.81
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
CID 77089956
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
(6S)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97116135
5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine
CID 154571202
7-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 138032792
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
1-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]piperazin-2-one
CID 77091740
methyl 4-[4-[[6-(dimethylamino)-3-pyridinyl]methyl]piperazin-1-yl]benzoate
CID 56890848
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride
CID 154901165
6-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947851
N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24917716

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one?
The IUPAC name of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one (CID 77082192) is 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one?
The canonical SMILES for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one is CN1CCN(Cc2ccc(N(C)C)nc2)CCC1=O.
What is the InChIKey of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one?
The InChIKey is IXIJARLDRHHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16(2)13-5-4-12(10-15-13)11-18-7-6-14(19)17(3)8-9-18/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one?
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one has a molecular weight of 262.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one is sourced from PubChem (CID 77082192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).