methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate

C23H20FN3O3 — CID 71010119

IUPACmethyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate
SMILESC/C=C(/c1ccc(C(=O)OC)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C23H20FN3O3/c1-4-18(15-5-7-16(8-6-15)23(29)30-3)17-9-10-21(26-11-17)27-22(28)19-12-25-13-20(24)14(19)2/h4-13H,1-3H3,(H,26,27,28)/b18-4-
InChIKeyYASSXIMUCLLCDR-LMXLVEHLSA-N
MW405.43 g/mol
LogP4.41
Rot. Bonds5

About methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate

methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate (PubChem CID 71010119) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate
PubChem CID71010119
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Namemethyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate
SMILESC/C=C(/c1ccc(C(=O)OC)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C23H20FN3O3/c1-4-18(15-5-7-16(8-6-15)23(29)30-3)17-9-10-21(26-11-17)27-22(28)19-12-25-13-20(24)14(19)2/h4-13H,1-3H3,(H,26,27,28)/b18-4-
InChIKeyYASSXIMUCLLCDR-LMXLVEHLSA-N
XLogP4.41
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

FG 5893
CID 127728
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 11620871
4-{[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}benzyl 2,2,2-trifluoroethyl ether
CID 1091772
Methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 44411294
Methyl 2-[4-[[[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-pyridinyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 44411452
3-[(3-Benzyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyrimidin)-1-yl]benzoic acid methyl ester
CID 9930122
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 16047262
(S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16066811
(R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16662634
(2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 16662687
Benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,2-dimethylpiperazine-1-carboxylate
CID 16662806

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate?
The IUPAC name of methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate (CID 71010119) is methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate is C/C=C(/c1ccc(C(=O)OC)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate?
The InChIKey is YASSXIMUCLLCDR-LMXLVEHLSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-4-18(15-5-7-16(8-6-15)23(29)30-3)17-9-10-21(26-11-17)27-22(28)19-12-25-13-20(24)14(19)2/h4-13H,1-3H3,(H,26,27,28)/b18-4-.
What are the key properties of methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate?
methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate has a molecular weight of 405.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-1-[6-[(5-fluoro-4-methylpyridine-3-carbonyl)amino]-3-pyridinyl]prop-1-enyl]benzoate is sourced from PubChem (CID 71010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).