[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxy-3-pyridinyl)-6-methylpyridin-2-amine
CID 11817059
4-(3-fluoropyridin-2-yl)-N-(6-methoxy-2-methylpyridin-3-yl)piperazine-1-carboxamide
CID 137974947
[5-(Tert-butylcarbamothioylamino)-2-pyridinyl] 4-(5-fluoro-2-pyridinyl)piperazine-1-carboxylate
CID 11419069
1-[3,4-Difluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 21034140
1-[5-Fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 22046388
1-[4-Fluoro-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 22046495
5-[[5-fluoro-2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 59418240
4-[5-[(5-Fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69449619
Tert-butyl 4-[5-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 69450167
1-(5-Fluoro-2-methoxyphenyl)-3-(6-piperazin-1-yl-3-pyridinyl)urea
CID 69452892
N-(3,5-difluoro-2-pyridinyl)-4-[5-[(2-ethoxy-5-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69453486
4-[3-[(3-Fluoro-2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69482531

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).