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

C16H21FN4O3 — CID 68719041

IUPAC[4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESCC(C)Oc1nc(NC2CCC(NC(=O)O)CC2)c(F)cc1C#N
InChIInChI=1S/C16H21FN4O3/c1-9(2)24-15-10(8-18)7-13(17)14(21-15)19-11-3-5-12(6-4-11)20-16(22)23/h7,9,11-12,20H,3-6H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyNYUAQJMTCMAUNE-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.87
Rot. Bonds5

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

[4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid (PubChem CID 68719041) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid
PubChem CID68719041
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC Name[4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESCC(C)Oc1nc(NC2CCC(NC(=O)O)CC2)c(F)cc1C#N
InChIInChI=1S/C16H21FN4O3/c1-9(2)24-15-10(8-18)7-13(17)14(21-15)19-11-3-5-12(6-4-11)20-16(22)23/h7,9,11-12,20H,3-6H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyNYUAQJMTCMAUNE-UHFFFAOYSA-N
XLogP2.87
TPSA107.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid (CID 68719041) is [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid is CC(C)Oc1nc(NC2CCC(NC(=O)O)CC2)c(F)cc1C#N.
What is the InChIKey of [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The InChIKey is NYUAQJMTCMAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3/c1-9(2)24-15-10(8-18)7-13(17)14(21-15)19-11-3-5-12(6-4-11)20-16(22)23/h7,9,11-12,20H,3-6H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid?
[4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid has a molecular weight of 336.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-cyano-3-fluoro-6-propan-2-yloxy-2-pyridinyl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 68719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).