methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate

C19H21FN4O3 — CID 134584270

IUPACmethyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCNCC2)c2ccc(F)cc2)nc1
InChIInChI=1S/C19H21FN4O3/c1-27-18(25)14-2-5-16(22-12-14)13-24(17-6-3-15(20)4-7-17)19(26)23-10-8-21-9-11-23/h2-7,12,21H,8-11,13H2,1H3
InChIKeyMXRBPMPGRFUZBZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.04
Rot. Bonds4

About methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate

methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate (PubChem CID 134584270) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate
PubChem CID134584270
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Namemethyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCNCC2)c2ccc(F)cc2)nc1
InChIInChI=1S/C19H21FN4O3/c1-27-18(25)14-2-5-16(22-12-14)13-24(17-6-3-15(20)4-7-17)19(26)23-10-8-21-9-11-23/h2-7,12,21H,8-11,13H2,1H3
InChIKeyMXRBPMPGRFUZBZ-UHFFFAOYSA-N
XLogP2.04
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
Methyl 4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate
CID 1872663
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
Methyl 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988226
Nampt activator-1
CID 969968
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-cyanonicotinate
CID 24751574
pyridin-3-ylmethyl N-[[4-[[2-[4-(2-fluoroethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781172
Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate
CID 6466060
Ethyl 4-(3-(pyridin-3-ylmethyl)ureido)benzoate
CID 6470978
2-(3-Pyridin-3-yl-ureido)-benzoic acid methyl ester
CID 647380
Methyl 2-({[(3-pyridinylmethyl)amino]carbonyl}amino)benzoate
CID 970862

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate (CID 134584270) is methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(C(=O)N2CCNCC2)c2ccc(F)cc2)nc1.
What is the InChIKey of methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
The InChIKey is MXRBPMPGRFUZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-27-18(25)14-2-5-16(22-12-14)13-24(17-6-3-15(20)4-7-17)19(26)23-10-8-21-9-11-23/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate?
methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-fluoro-N-(piperazine-1-carbonyl)anilino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 134584270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).