2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile

C20H27N5O — CID 72889329

IUPAC2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H27N5O/c21-11-16-5-4-8-22-20(16)23-18-13-24(12-17(18)15-6-7-15)14-19(26)25-9-2-1-3-10-25/h4-5,8,15,17-18H,1-3,6-7,9-10,12-14H2,(H,22,23)/t17-,18+/m1/s1
InChIKeySGVRLYSIMWKLFV-MSOLQXFVSA-N
MW353.47 g/mol
LogP2.09
Rot. Bonds5

About 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile

2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 72889329) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID72889329
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H27N5O/c21-11-16-5-4-8-22-20(16)23-18-13-24(12-17(18)15-6-7-15)14-19(26)25-9-2-1-3-10-25/h4-5,8,15,17-18H,1-3,6-7,9-10,12-14H2,(H,22,23)/t17-,18+/m1/s1
InChIKeySGVRLYSIMWKLFV-MSOLQXFVSA-N
XLogP2.09
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 133496410
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 103703733
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
2-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-piperidin-1-ylethanone
CID 110131181
2-[4-[2-[(2S)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 94625700
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 131182956
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 95980423
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
1-(3-cyano-2-pyridinyl)-3-cyclohexylurea
CID 110472699

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile (CID 72889329) is 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1N[C@H]1CN(CC(=O)N2CCCCC2)C[C@@H]1C1CC1.
What is the InChIKey of 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is SGVRLYSIMWKLFV-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H27N5O/c21-11-16-5-4-8-22-20(16)23-18-13-24(12-17(18)15-6-7-15)14-19(26)25-9-2-1-3-10-25/h4-5,8,15,17-18H,1-3,6-7,9-10,12-14H2,(H,22,23)/t17-,18+/m1/s1.
What are the key properties of 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 353.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 72889329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).