2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H18N4O — CID 102846633

IUPAC2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN1CCCN(c2nc3c(cc2C#N)CCC3)CC1=O
InChIInChI=1S/C15H18N4O/c1-18-6-3-7-19(10-14(18)20)15-12(9-16)8-11-4-2-5-13(11)17-15/h8H,2-7,10H2,1H3
InChIKeyNPYMUHWZKYQHRN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.11
Rot. Bonds1

About 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 102846633) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID102846633
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN1CCCN(c2nc3c(cc2C#N)CCC3)CC1=O
InChIInChI=1S/C15H18N4O/c1-18-6-3-7-19(10-14(18)20)15-12(9-16)8-11-4-2-5-13(11)17-15/h8H,2-7,10H2,1H3
InChIKeyNPYMUHWZKYQHRN-UHFFFAOYSA-N
XLogP1.11
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
4-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102888406
2-(4,4-dimethylazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65280859
2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62232170
2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172891354
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102846577
2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 127365465
2-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82856125
2-(3,5-dimethylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944458
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63184392
1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721224

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 102846633) is 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CN1CCCN(c2nc3c(cc2C#N)CCC3)CC1=O.
What is the InChIKey of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NPYMUHWZKYQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-6-3-7-19(10-14(18)20)15-12(9-16)8-11-4-2-5-13(11)17-15/h8H,2-7,10H2,1H3.
What are the key properties of 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 102846633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).