[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate

C17H14FN5O2 — CID 90114051

IUPAC[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate
SMILESCc1ccc(Nc2cccnc2)c(OC(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C17H14FN5O2/c1-11-4-6-14(22-13-3-2-8-19-10-13)16(21-11)25-17(24)23-15-7-5-12(18)9-20-15/h2-10,22H,1H3,(H,20,23,24)
InChIKeySGPMQYPFJYQYBV-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.67
Rot. Bonds4

About [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate

[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate (PubChem CID 90114051) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate
PubChem CID90114051
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate
SMILESCc1ccc(Nc2cccnc2)c(OC(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C17H14FN5O2/c1-11-4-6-14(22-13-3-2-8-19-10-13)16(21-11)25-17(24)23-15-7-5-12(18)9-20-15/h2-10,22H,1H3,(H,20,23,24)
InChIKeySGPMQYPFJYQYBV-UHFFFAOYSA-N
XLogP3.67
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
The IUPAC name of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate (CID 90114051) is [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate.
What is the SMILES notation for [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
The canonical SMILES for [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate is Cc1ccc(Nc2cccnc2)c(OC(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
The InChIKey is SGPMQYPFJYQYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-11-4-6-14(22-13-3-2-8-19-10-13)16(21-11)25-17(24)23-15-7-5-12(18)9-20-15/h2-10,22H,1H3,(H,20,23,24).
What are the key properties of [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate has a molecular weight of 339.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate is sourced from PubChem (CID 90114051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).