[1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate

C16H15FN4O2 — CID 3075612

IUPAC[1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)c(C)cn2Nc1ccncc1F
InChIInChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20)
InChIKeyGUHMRCCRDRBMHO-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.08
Rot. Bonds3

About [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate

[1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate (PubChem CID 3075612) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate
PubChem CID3075612
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name[1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)c(C)cn2Nc1ccncc1F
InChIInChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20)
InChIKeyGUHMRCCRDRBMHO-UHFFFAOYSA-N
XLogP3.08
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate?
The IUPAC name of [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate (CID 3075612) is [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate.
What is the SMILES notation for [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate?
The canonical SMILES for [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)c(C)cn2Nc1ccncc1F.
What is the InChIKey of [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate?
The InChIKey is GUHMRCCRDRBMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20).
What are the key properties of [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate?
[1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate has a molecular weight of 314.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-5-yl] N-methylcarbamate is sourced from PubChem (CID 3075612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).