2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H17N3O2 — CID 102891961

IUPAC2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCc1ccnc(N2CC3CCCC3C2C(=O)O)c1C#N
InChIInChI=1S/C15H17N3O2/c1-9-5-6-17-14(12(9)7-16)18-8-10-3-2-4-11(10)13(18)15(19)20/h5-6,10-11,13H,2-4,8H2,1H3,(H,19,20)
InChIKeyYRNHOYYGEQUJRJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.95
Rot. Bonds2

About 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102891961) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102891961
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCc1ccnc(N2CC3CCCC3C2C(=O)O)c1C#N
InChIInChI=1S/C15H17N3O2/c1-9-5-6-17-14(12(9)7-16)18-8-10-3-2-4-11(10)13(18)15(19)20/h5-6,10-11,13H,2-4,8H2,1H3,(H,19,20)
InChIKeyYRNHOYYGEQUJRJ-UHFFFAOYSA-N
XLogP1.95
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid 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

2-(4-cyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892336
(3S,4S)-1-(3-cyano-4-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 128980867
2-[2-(methylcarbamoyl)-4-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892004
2-[2-(aminomethyl)pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 115313360
2-(3-bromo-4-cyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 107275670
2-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-4-methylpyridine-3-carbonitrile
CID 129447499
2-(4-carbamoyl-6-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892397
2-[2-(hydroxymethyl)azepan-1-yl]-4-methylpyridine-3-carbonitrile
CID 116634711
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892137
2-(5-chloro-2-methoxypyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892223
4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83099052
2-(5-methyl-4-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892322

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102891961) is 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is Cc1ccnc(N2CC3CCCC3C2C(=O)O)c1C#N.
What is the InChIKey of 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is YRNHOYYGEQUJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-5-6-17-14(12(9)7-16)18-8-10-3-2-4-11(10)13(18)15(19)20/h5-6,10-11,13H,2-4,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102891961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).