methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate

C23H21F3N4O3 — CID 169264103

IUPACmethyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc3ccc(F)cc3nc2N2CCC(F)(F)C(C)C2)ccn1
InChIInChI=1S/C23H21F3N4O3/c1-13-12-30(8-6-23(13,25)26)20-17(9-14-3-4-15(24)10-18(14)29-20)21(31)28-16-5-7-27-19(11-16)22(32)33-2/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,27,28,31)
InChIKeyALYJFWVPSAOBCB-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.29
Rot. Bonds4

About methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate

methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 169264103) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate
PubChem CID169264103
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Namemethyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc3ccc(F)cc3nc2N2CCC(F)(F)C(C)C2)ccn1
InChIInChI=1S/C23H21F3N4O3/c1-13-12-30(8-6-23(13,25)26)20-17(9-14-3-4-15(24)10-18(14)29-20)21(31)28-16-5-7-27-19(11-16)22(32)33-2/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,27,28,31)
InChIKeyALYJFWVPSAOBCB-UHFFFAOYSA-N
XLogP4.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-4-pyridinyl]-2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-methylquinoline-3-carboxamide
CID 169264430
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158871475
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;methanol;methylsulfanylmethane
CID 176694650
N-(2-cyano-4-pyridinyl)-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525794
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264214
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 169264076
2-(4,4-difluoroazepan-1-yl)-6-fluoro-N-(2-sulfamoyl-4-pyridinyl)quinoline-3-carboxamide
CID 169264512
2-[[2-(4,4-difluoroazepan-1-yl)-7-fluoroquinoline-3-carbonyl]amino]-1,3-thiazole-4-carboxylic acid
CID 169264144
methyl 2-(3-chloro-5,5-difluoroazepan-1-yl)quinoline-3-carboxylate
CID 170312236
methyl 4-[(2,5-difluoro-4-methylbenzoyl)amino]pyridine-2-carboxylate
CID 159924030
2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
CID 169264592
CID 176694603
CID 176694603

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate (CID 169264103) is methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cc(NC(=O)c2cc3ccc(F)cc3nc2N2CCC(F)(F)C(C)C2)ccn1.
What is the InChIKey of methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate?
The InChIKey is ALYJFWVPSAOBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-13-12-30(8-6-23(13,25)26)20-17(9-14-3-4-15(24)10-18(14)29-20)21(31)28-16-5-7-27-19(11-16)22(32)33-2/h3-5,7,9-11,13H,6,8,12H2,1-2H3,(H,27,28,31).
What are the key properties of methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate?
methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 458.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 169264103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).