6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H18F2N4O — CID 165434752

IUPAC6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)nc1
InChIInChI=1S/C16H18F2N4O/c17-16(18)4-7-21(8-5-16)15(23)13-3-6-22(11-13)14-2-1-12(9-19)10-20-14/h1-2,10,13H,3-8,11H2
InChIKeyPDZQRTCPRLWTFG-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.04
Rot. Bonds2

About 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 165434752) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID165434752
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)nc1
InChIInChI=1S/C16H18F2N4O/c17-16(18)4-7-21(8-5-16)15(23)13-3-6-22(11-13)14-2-1-12(9-19)10-20-14/h1-2,10,13H,3-8,11H2
InChIKeyPDZQRTCPRLWTFG-UHFFFAOYSA-N
XLogP2.04
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165434726
6-[5-(3,3-difluorocyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146080045
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 172880789
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
(4,4-difluoropiperidin-1-yl)-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanone
CID 165431783

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 165434752) is 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)nc1.
What is the InChIKey of 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PDZQRTCPRLWTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-16(18)4-7-21(8-5-16)15(23)13-3-6-22(11-13)14-2-1-12(9-19)10-20-14/h1-2,10,13H,3-8,11H2.
What are the key properties of 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 320.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 165434752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).