6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile

C12H13F3N4 — CID 129368242

IUPAC6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@H]2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)8-19-4-3-10(7-19)18-11-2-1-9(5-16)6-17-11/h1-2,6,10H,3-4,7-8H2,(H,17,18)/t10-/m0/s1
InChIKeyMQMWNKJHXOKSQN-JTQLQIEISA-N
MW270.26 g/mol
LogP2.00
Rot. Bonds3

About 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile

6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 129368242) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID129368242
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@H]2CCN(CC(F)(F)F)C2)nc1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)8-19-4-3-10(7-19)18-11-2-1-9(5-16)6-17-11/h1-2,6,10H,3-4,7-8H2,(H,17,18)/t10-/m0/s1
InChIKeyMQMWNKJHXOKSQN-JTQLQIEISA-N
XLogP2.00
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
5-(difluoromethoxy)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 97160979
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
6-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 122564334
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
2-(4-cyanoanilino)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 129381583
4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 118362521
N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 133359510
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile (CID 129368242) is 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(N[C@H]2CCN(CC(F)(F)F)C2)nc1.
What is the InChIKey of 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is MQMWNKJHXOKSQN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)8-19-4-3-10(7-19)18-11-2-1-9(5-16)6-17-11/h1-2,6,10H,3-4,7-8H2,(H,17,18)/t10-/m0/s1.
What are the key properties of 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 270.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 129368242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).