ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate

C22H23FN4O2 — CID 110179179

IUPACethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(Cc2ccccc2)c2ccc(F)cc2)nc1N
InChIInChI=1S/C22H23FN4O2/c1-2-29-22(28)26-18-12-13-20(27-21(18)24)25-19(14-15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-13,19H,2,14H2,1H3,(H,26,28)(H3,24,25,27)
InChIKeyZXHHXOUMBAJIRD-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.77
Rot. Bonds7

About ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate (PubChem CID 110179179) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate
PubChem CID110179179
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Nameethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(Cc2ccccc2)c2ccc(F)cc2)nc1N
InChIInChI=1S/C22H23FN4O2/c1-2-29-22(28)26-18-12-13-20(27-21(18)24)25-19(14-15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-13,19H,2,14H2,1H3,(H,26,28)(H3,24,25,27)
InChIKeyZXHHXOUMBAJIRD-UHFFFAOYSA-N
XLogP4.77
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 53276
Flupirtine Maleate
CID 6435335
Mivobulin
CID 182763
ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 485173
CI 980
CID 100669
Ethyl [(2r)-5-Amino-2-Methyl-3-Phenyl-1,2-Dihydropyrido[3,4-B]pyrazin-7-Yl]carbamate
CID 460505
ethyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 134196
methyl N-(5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
CID 459854
ethyl N-[5-amino-3-(3-aminophenyl)-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 459861
ethyl N-[(2S)-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 459876
ethyl 5-amino-1,2-dihydro-3-((N-methylanilino)methyl)pyrido-(3,4-b)pyrazin-7-ylcarbamate
CID 133466
Carbamic acid, (5-amino-1,2-dihydro-3-(4-(trifluoromethyl)phenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 150006

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate (CID 110179179) is ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NC(Cc2ccccc2)c2ccc(F)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate?
The InChIKey is ZXHHXOUMBAJIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-2-29-22(28)26-18-12-13-20(27-21(18)24)25-19(14-15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-13,19H,2,14H2,1H3,(H,26,28)(H3,24,25,27).
What are the key properties of ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate has a molecular weight of 394.45 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110179179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).