4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile

C10H12N4 — CID 67060660

IUPAC4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1N1CC[C@H](N)C1
InChIInChI=1S/C10H12N4/c11-5-8-6-13-3-1-10(8)14-4-2-9(12)7-14/h1,3,6,9H,2,4,7,12H2/t9-/m0/s1
InChIKeyABCASGICFOISMS-VIFPVBQESA-N
MW188.23 g/mol
LogP0.49
Rot. Bonds1

About 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile

4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 67060660) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID67060660
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1N1CC[C@H](N)C1
InChIInChI=1S/C10H12N4/c11-5-8-6-13-3-1-10(8)14-4-2-9(12)7-14/h1,3,6,9H,2,4,7,12H2/t9-/m0/s1
InChIKeyABCASGICFOISMS-VIFPVBQESA-N
XLogP0.49
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
2-(3-aminopyrrolidin-1-yl)-4-bromobenzonitrile
CID 112694717
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride
CID 67060441
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 115883813
3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
CID 129349589
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
CID 67060455

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile (CID 67060660) is 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1cnccc1N1CC[C@H](N)C1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ABCASGICFOISMS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N4/c11-5-8-6-13-3-1-10(8)14-4-2-9(12)7-14/h1,3,6,9H,2,4,7,12H2/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile?
4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 67060660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).