3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide

C13H19FN6O3 — CID 90382400

IUPAC3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide
SMILESCOc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1
InChIInChI=1S/C13H19FN6O3/c1-23-9-2-3-16-6-8(9)19-13(21)10(11(15)20-22)12-17-4-7(14)5-18-12/h2-3,6-7,10-12,17-18H,4-5,15H2,1H3,(H,19,21)
InChIKeyUPPIIHQHERXWDT-UHFFFAOYSA-N
MW326.33 g/mol
LogP-0.45
Rot. Bonds6

About 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide

3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide (PubChem CID 90382400) has the molecular formula C13H19FN6O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide
PubChem CID90382400
Molecular FormulaC13H19FN6O3
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide
SMILESCOc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1
InChIInChI=1S/C13H19FN6O3/c1-23-9-2-3-16-6-8(9)19-13(21)10(11(15)20-22)12-17-4-7(14)5-18-12/h2-3,6-7,10-12,17-18H,4-5,15H2,1H3,(H,19,21)
InChIKeyUPPIIHQHERXWDT-UHFFFAOYSA-N
XLogP-0.45
TPSA130.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-Methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 119049071
1-[1-(Cyclopropylmethyl)piperidin-4-yl]-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]urea
CID 119049092
1-[4-Methoxy-6-(trifluoromethyl)pyridin-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 119049063
3-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90211949
3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(oxetan-3-yloxy)-3-pyridinyl]propanamide
CID 90211982
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(oxolan-3-yloxy)-3-pyridinyl]propanamide
CID 90212052
3,3-diamino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]propanamide
CID 90212063
2-amino-N-(4-ethoxy-3-pyridinyl)-6-fluoro-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212064
2-amino-6-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212164
3,3-diamino-2-[5-(cyanomethyl)-1,3-diazinan-2-yl]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 90212253
2-amino-6-fluoro-N-(4-methoxy-3-pyridinyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212255
3-amino-N-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90382336

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide (CID 90382400) is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide.
What is the SMILES notation for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide is COc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1.
What is the InChIKey of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide?
The InChIKey is UPPIIHQHERXWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6O3/c1-23-9-2-3-16-6-8(9)19-13(21)10(11(15)20-22)12-17-4-7(14)5-18-12/h2-3,6-7,10-12,17-18H,4-5,15H2,1H3,(H,19,21).
What are the key properties of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide?
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide has a molecular weight of 326.33 g/mol, XLogP of -0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-(4-methoxy-3-pyridinyl)-3-nitrosopropanamide is sourced from PubChem (CID 90382400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).