2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H21N3O — CID 103742965

IUPAC2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1(CNc2nc3c(cc2C#N)CCC3)CCOCC1
InChIInChI=1S/C16H21N3O/c1-16(5-7-20-8-6-16)11-18-15-13(10-17)9-12-3-2-4-14(12)19-15/h9H,2-8,11H2,1H3,(H,18,19)
InChIKeyTXUFCDPWAJRFQF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.67
Rot. Bonds3

About 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 103742965) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID103742965
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1(CNc2nc3c(cc2C#N)CCC3)CCOCC1
InChIInChI=1S/C16H21N3O/c1-16(5-7-20-8-6-16)11-18-15-13(10-17)9-12-3-2-4-14(12)19-15/h9H,2-8,11H2,1H3,(H,18,19)
InChIKeyTXUFCDPWAJRFQF-UHFFFAOYSA-N
XLogP2.67
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450488
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207722
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-(oxan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 61038404
2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115622839
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968727
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55082442
2-(2-ethylsulfinylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115627399

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 103742965) is 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC1(CNc2nc3c(cc2C#N)CCC3)CCOCC1.
What is the InChIKey of 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is TXUFCDPWAJRFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(5-7-20-8-6-16)11-18-15-13(10-17)9-12-3-2-4-14(12)19-15/h9H,2-8,11H2,1H3,(H,18,19).
What are the key properties of 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 103742965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).