4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile

C14H13FN4 — CID 1470929

IUPAC4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Nc2ccc(F)cc2)c1C#N
InChIInChI=1S/C14H13FN4/c1-19(2)13-7-8-17-14(12(13)9-16)18-11-5-3-10(15)4-6-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFYHVDMACOFGDHG-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.90
Rot. Bonds3

About 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile

4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile (PubChem CID 1470929) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile
PubChem CID1470929
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Nc2ccc(F)cc2)c1C#N
InChIInChI=1S/C14H13FN4/c1-19(2)13-7-8-17-14(12(13)9-16)18-11-5-3-10(15)4-6-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFYHVDMACOFGDHG-UHFFFAOYSA-N
XLogP2.90
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23362
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CID 11711114
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CID 81130
CID 81130
CID 83053
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CID 2737203
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CID 790718
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CID 2366458
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CID 5270788
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CID 660897
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CID 667926
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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile (CID 1470929) is 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile is CN(C)c1ccnc(Nc2ccc(F)cc2)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile?
The InChIKey is FYHVDMACOFGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-19(2)13-7-8-17-14(12(13)9-16)18-11-5-3-10(15)4-6-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile?
4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(4-fluoroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 1470929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).