methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate

C24H18FN5O3 — CID 118064236

IUPACmethyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Nc2cc(C(=O)Nc3cncc(-c4ccccc4F)c3)ccn2)n1
InChIInChI=1S/C24H18FN5O3/c1-33-24(32)20-7-4-8-21(29-20)30-22-12-15(9-10-27-22)23(31)28-17-11-16(13-26-14-17)18-5-2-3-6-19(18)25/h2-14H,1H3,(H,28,31)(H,27,29,30)
InChIKeyGNBDDBQEWSKBHK-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.46
Rot. Bonds6

About methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate

methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate (PubChem CID 118064236) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate
PubChem CID118064236
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC Namemethyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Nc2cc(C(=O)Nc3cncc(-c4ccccc4F)c3)ccn2)n1
InChIInChI=1S/C24H18FN5O3/c1-33-24(32)20-7-4-8-21(29-20)30-22-12-15(9-10-27-22)23(31)28-17-11-16(13-26-14-17)18-5-2-3-6-19(18)25/h2-14H,1H3,(H,28,31)(H,27,29,30)
InChIKeyGNBDDBQEWSKBHK-UHFFFAOYSA-N
XLogP4.46
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118072376
6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118063764
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064254
N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064634
methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178658
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177220
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872
methyl 6-[[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 59617969
N-(4-acetamidophenyl)-2-(2,6-difluoroanilino)pyridine-4-carboxamide
CID 109178580
2-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176900
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842708

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate (CID 118064236) is methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate is COC(=O)c1cccc(Nc2cc(C(=O)Nc3cncc(-c4ccccc4F)c3)ccn2)n1.
What is the InChIKey of methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate?
The InChIKey is GNBDDBQEWSKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-33-24(32)20-7-4-8-21(29-20)30-22-12-15(9-10-27-22)23(31)28-17-11-16(13-26-14-17)18-5-2-3-6-19(18)25/h2-14H,1H3,(H,28,31)(H,27,29,30).
What are the key properties of methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate?
methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate has a molecular weight of 443.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 118064236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).