[2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate

C18H20FN5O3 — CID 118132687

IUPAC[2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate
SMILESNC(N)=NC(=O)OCc1cccc(-c2ccc(N3CCOCC3)nc2)c1F
InChIInChI=1S/C18H20FN5O3/c19-16-13(11-27-18(25)23-17(20)21)2-1-3-14(16)12-4-5-15(22-10-12)24-6-8-26-9-7-24/h1-5,10H,6-9,11H2,(H4,20,21,23,25)
InChIKeyOIGRHHDOIOAYFJ-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.63
Rot. Bonds4

About [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate

[2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate (PubChem CID 118132687) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate.

Molecular Properties

Compound Name[2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate
PubChem CID118132687
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name[2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate
SMILESNC(N)=NC(=O)OCc1cccc(-c2ccc(N3CCOCC3)nc2)c1F
InChIInChI=1S/C18H20FN5O3/c19-16-13(11-27-18(25)23-17(20)21)2-1-3-14(16)12-4-5-15(22-10-12)24-6-8-26-9-7-24/h1-5,10H,6-9,11H2,(H4,20,21,23,25)
InChIKeyOIGRHHDOIOAYFJ-UHFFFAOYSA-N
XLogP1.63
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
Benzyl 4-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 10268204
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
[2-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 89600723
benzyl N-[2-oxo-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidin-4-yl]carbamate
CID 44144243
[3-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl N-(diaminomethylidene)carbamate;trihydrochloride
CID 146029985
[4-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl N-(diaminomethylidene)carbamate;dihydrochloride
CID 146029989
2-Benzyloxy-1-(4-pyridin-2-yl-piperazin-1-yl)-ethanone
CID 24762953
[3-[2-[(1-acetylpiperidin-4-yl)methoxy]pyrimidin-5-yl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 66546013
[1-Phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl] carbamate
CID 67280947
[1-Phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate?
The IUPAC name of [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate (CID 118132687) is [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate.
What is the SMILES notation for [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate?
The canonical SMILES for [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate is NC(N)=NC(=O)OCc1cccc(-c2ccc(N3CCOCC3)nc2)c1F.
What is the InChIKey of [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate?
The InChIKey is OIGRHHDOIOAYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c19-16-13(11-27-18(25)23-17(20)21)2-1-3-14(16)12-4-5-15(22-10-12)24-6-8-26-9-7-24/h1-5,10H,6-9,11H2,(H4,20,21,23,25).
What are the key properties of [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate?
[2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate has a molecular weight of 373.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(6-morpholin-4-yl-3-pyridinyl)phenyl]methyl N-(diaminomethylidene)carbamate is sourced from PubChem (CID 118132687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).