[4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid

C14H18FN5O2 — CID 68719851

IUPAC[4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid
SMILESCNc1nc(NC2CCC(NC(=O)O)CC2)c(F)cc1C#N
InChIInChI=1S/C14H18FN5O2/c1-17-12-8(7-16)6-11(15)13(20-12)18-9-2-4-10(5-3-9)19-14(21)22/h6,9-10,19H,2-5H2,1H3,(H,21,22)(H2,17,18,20)
InChIKeyPCNZVYGSWBETKN-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.12
Rot. Bonds4

About [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid

[4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid (PubChem CID 68719851) has the molecular formula C14H18FN5O2 and a molecular weight of 307.33 g/mol. Its IUPAC name is [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid
PubChem CID68719851
Molecular FormulaC14H18FN5O2
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC Name[4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid
SMILESCNc1nc(NC2CCC(NC(=O)O)CC2)c(F)cc1C#N
InChIInChI=1S/C14H18FN5O2/c1-17-12-8(7-16)6-11(15)13(20-12)18-9-2-4-10(5-3-9)19-14(21)22/h6,9-10,19H,2-5H2,1H3,(H,21,22)(H2,17,18,20)
InChIKeyPCNZVYGSWBETKN-UHFFFAOYSA-N
XLogP2.12
TPSA110.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid (CID 68719851) is [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid is CNc1nc(NC2CCC(NC(=O)O)CC2)c(F)cc1C#N.
What is the InChIKey of [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid?
The InChIKey is PCNZVYGSWBETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O2/c1-17-12-8(7-16)6-11(15)13(20-12)18-9-2-4-10(5-3-9)19-14(21)22/h6,9-10,19H,2-5H2,1H3,(H,21,22)(H2,17,18,20).
What are the key properties of [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid?
[4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid has a molecular weight of 307.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-cyano-3-fluoro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 68719851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).