2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile

C17H17FN4 — CID 125142211

IUPAC2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H17FN4/c18-15-1-3-16(4-2-15)22-8-6-14(12-22)11-21-17-9-13(10-19)5-7-20-17/h1-5,7,9,14H,6,8,11-12H2,(H,20,21)/t14-/m1/s1
InChIKeyKRBVNDJREUIMEA-CQSZACIVSA-N
MW296.35 g/mol
LogP3.03
Rot. Bonds4

About 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile

2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile (PubChem CID 125142211) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
PubChem CID125142211
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H17FN4/c18-15-1-3-16(4-2-15)22-8-6-14(12-22)11-21-17-9-13(10-19)5-7-20-17/h1-5,7,9,14H,6,8,11-12H2,(H,20,21)/t14-/m1/s1
InChIKeyKRBVNDJREUIMEA-CQSZACIVSA-N
XLogP3.03
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile (CID 125142211) is 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NC[C@H]2CCN(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
The InChIKey is KRBVNDJREUIMEA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN4/c18-15-1-3-16(4-2-15)22-8-6-14(12-22)11-21-17-9-13(10-19)5-7-20-17/h1-5,7,9,14H,6,8,11-12H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile?
2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile has a molecular weight of 296.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 125142211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).