4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one

C15H22N4O — CID 102888406

IUPAC4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2nc3c(cc2CN)CCC3)CC1=O
InChIInChI=1S/C15H22N4O/c1-18-6-3-7-19(10-14(18)20)15-12(9-16)8-11-4-2-5-13(11)17-15/h8H,2-7,9-10,16H2,1H3
InChIKeyLUEPHCBSEKQSLU-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.70
Rot. Bonds2

About 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one

4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102888406) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one
PubChem CID102888406
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2nc3c(cc2CN)CCC3)CC1=O
InChIInChI=1S/C15H22N4O/c1-18-6-3-7-19(10-14(18)20)15-12(9-16)8-11-4-2-5-13(11)17-15/h8H,2-7,9-10,16H2,1H3
InChIKeyLUEPHCBSEKQSLU-UHFFFAOYSA-N
XLogP0.70
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one with MolForge

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Related Compounds

2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633
4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione
CID 66085814
[2-(4,4-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 62935971
[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 63604653
[2-(4-ethyl-4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 63156144
[2-(2,2-dimethylpyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 63215740
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol
CID 62916668
[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 114459755
[1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]pyrrolidin-3-yl]methanol
CID 112624253
4-[2-(aminomethyl)-5-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102888419
3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104718

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one (CID 102888406) is 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2nc3c(cc2CN)CCC3)CC1=O.
What is the InChIKey of 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is LUEPHCBSEKQSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-6-3-7-19(10-14(18)20)15-12(9-16)8-11-4-2-5-13(11)17-15/h8H,2-7,9-10,16H2,1H3.
What are the key properties of 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one?
4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 274.37 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).