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

C17H26FN7O3 — CID 129134551

IUPAC3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide
SMILESCN1CC(F)CNC1C(C(=O)Nc1cnccc1N1CCOCC1)C(N)N=O
InChIInChI=1S/C17H26FN7O3/c1-24-10-11(18)8-21-16(24)14(15(19)23-27)17(26)22-12-9-20-3-2-13(12)25-4-6-28-7-5-25/h2-3,9,11,14-16,21H,4-8,10,19H2,1H3,(H,22,26)
InChIKeyMFBWGLMAHRSXIK-UHFFFAOYSA-N
MW395.44 g/mol
LogP-0.28
Rot. Bonds6

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

3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide (PubChem CID 129134551) has the molecular formula C17H26FN7O3 and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide
PubChem CID129134551
Molecular FormulaC17H26FN7O3
Molecular Weight395.44 g/mol
Exact Mass395.21
IUPAC Name3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide
SMILESCN1CC(F)CNC1C(C(=O)Nc1cnccc1N1CCOCC1)C(N)N=O
InChIInChI=1S/C17H26FN7O3/c1-24-10-11(18)8-21-16(24)14(15(19)23-27)17(26)22-12-9-20-3-2-13(12)25-4-6-28-7-5-25/h2-3,9,11,14-16,21H,4-8,10,19H2,1H3,(H,22,26)
InChIKeyMFBWGLMAHRSXIK-UHFFFAOYSA-N
XLogP-0.28
TPSA125.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-3-pyridinyl]propanamide
CID 90212033
3-amino-2-(5-chloro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]propanamide
CID 90212081
3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitroso-N-[4-[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]propanamide
CID 90382434
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-nitrosopropanamide
CID 90382505
3-amino-N-[5-chloro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 129133260
3-amino-N-[4-[4-(1-azabicyclo[2.2.2]octane-4-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 129134039
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]-3-nitrosopropanamide
CID 90382421
3-amino-N-[4-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-2-(5-chloro-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90382353
3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-3-nitrosopropanamide
CID 129134507
3-amino-N-[4-[4-(1,2,3,5,6,7,8,8a-octahydroindolizine-2-carbonyl)piperazin-1-yl]-5-fluoro-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90212022
3-amino-N-[5-fluoro-4-[4-[3-(methoxymethyl)azetidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 129134656
3-amino-2-(5-chloro-1,3-diazinan-2-yl)-N-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-pyridinyl]-3-nitrosopropanamide
CID 90382419

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide (CID 129134551) is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide.
What is the SMILES notation for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide is CN1CC(F)CNC1C(C(=O)Nc1cnccc1N1CCOCC1)C(N)N=O.
What is the InChIKey of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide?
The InChIKey is MFBWGLMAHRSXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN7O3/c1-24-10-11(18)8-21-16(24)14(15(19)23-27)17(26)22-12-9-20-3-2-13(12)25-4-6-28-7-5-25/h2-3,9,11,14-16,21H,4-8,10,19H2,1H3,(H,22,26).
What are the key properties of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide?
3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide has a molecular weight of 395.44 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-(4-morpholin-4-yl-3-pyridinyl)-3-nitrosopropanamide is sourced from PubChem (CID 129134551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).