ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

C22H22F2N4O2 — CID 125319217

IUPACethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O2/c1-2-30-22(29)27-19-11-12-20(25-13-15-3-7-17(23)8-4-15)28-21(19)26-14-16-5-9-18(24)10-6-16/h3-12H,2,13-14H2,1H3,(H,27,29)(H2,25,26,28)
InChIKeyGSMOUEDCTAYAEN-UHFFFAOYSA-N
MW412.44 g/mol
LogP5.15
Rot. Bonds8

About ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 125319217) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID125319217
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Nameethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C22H22F2N4O2/c1-2-30-22(29)27-19-11-12-20(25-13-15-3-7-17(23)8-4-15)28-21(19)26-14-16-5-9-18(24)10-6-16/h3-12H,2,13-14H2,1H3,(H,27,29)(H2,25,26,28)
InChIKeyGSMOUEDCTAYAEN-UHFFFAOYSA-N
XLogP5.15
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl N-(5-amino-2-ethyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
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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
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CID 150006

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (CID 125319217) is ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1.
What is the InChIKey of ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is GSMOUEDCTAYAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-2-30-22(29)27-19-11-12-20(25-13-15-3-7-17(23)8-4-15)28-21(19)26-14-16-5-9-18(24)10-6-16/h3-12H,2,13-14H2,1H3,(H,27,29)(H2,25,26,28).
What are the key properties of ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 412.44 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,6-bis[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 125319217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).