2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C14H19N3O — CID 79250073

IUPAC2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)[C@@H](CO)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H19N3O/c1-9(2)13(8-18)17-14-11(7-15)6-10-4-3-5-12(10)16-14/h6,9,13,18H,3-5,8H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyALNVCZDUKWANNO-CYBMUJFWSA-N
MW245.33 g/mol
LogP1.87
Rot. Bonds4

About 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 79250073) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID79250073
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)[C@@H](CO)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C14H19N3O/c1-9(2)13(8-18)17-14-11(7-15)6-10-4-3-5-12(10)16-14/h6,9,13,18H,3-5,8H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyALNVCZDUKWANNO-CYBMUJFWSA-N
XLogP1.87
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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Related Compounds

(2S)-2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]amino]-3-methylbutan-1-ol
CID 79254010
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63889340
5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
CID 82845367
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 106282983
2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968845
2-[1-(4-chlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981704
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
2-(hex-1-yn-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106230839
2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55082442
2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115622839

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 79250073) is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC(C)[C@@H](CO)Nc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is ALNVCZDUKWANNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)13(8-18)17-14-11(7-15)6-10-4-3-5-12(10)16-14/h6,9,13,18H,3-5,8H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 79250073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).