methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate

C21H19FN4O3 — CID 121267845

IUPACmethyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c1
InChIInChI=1S/C21H19FN4O3/c1-12-3-8-17(22)18(9-12)26-21(28)25-15-6-4-13(5-7-15)16-10-14(20(27)29-2)11-24-19(16)23/h3-11H,1-2H3,(H2,23,24)(H2,25,26,28)
InChIKeyFVVWICPRPMXEEL-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.21
Rot. Bonds4

About methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate

methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate (PubChem CID 121267845) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate
PubChem CID121267845
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Namemethyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c1
InChIInChI=1S/C21H19FN4O3/c1-12-3-8-17(22)18(9-12)26-21(28)25-15-6-4-13(5-7-15)16-10-14(20(27)29-2)11-24-19(16)23/h3-11H,1-2H3,(H2,23,24)(H2,25,26,28)
InChIKeyFVVWICPRPMXEEL-UHFFFAOYSA-N
XLogP4.21
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate (CID 121267845) is methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate is COC(=O)c1cnc(N)c(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c1.
What is the InChIKey of methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate?
The InChIKey is FVVWICPRPMXEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-12-3-8-17(22)18(9-12)26-21(28)25-15-6-4-13(5-7-15)16-10-14(20(27)29-2)11-24-19(16)23/h3-11H,1-2H3,(H2,23,24)(H2,25,26,28).
What are the key properties of methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate?
methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate has a molecular weight of 394.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 121267845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).