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

C14H21FN6O3 — CID 90382399

IUPAC3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
SMILESCCOc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1
InChIInChI=1S/C14H21FN6O3/c1-2-24-10-3-4-17-7-9(10)20-14(22)11(12(16)21-23)13-18-5-8(15)6-19-13/h3-4,7-8,11-13,18-19H,2,5-6,16H2,1H3,(H,20,22)
InChIKeyXSLFBDQFQTUDBU-UHFFFAOYSA-N
MW340.36 g/mol
LogP-0.06
Rot. Bonds7

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

3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide (PubChem CID 90382399) has the molecular formula C14H21FN6O3 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
PubChem CID90382399
Molecular FormulaC14H21FN6O3
Molecular Weight340.36 g/mol
Exact Mass340.17
IUPAC Name3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
SMILESCCOc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1
InChIInChI=1S/C14H21FN6O3/c1-2-24-10-3-4-17-7-9(10)20-14(22)11(12(16)21-23)13-18-5-8(15)6-19-13/h3-4,7-8,11-13,18-19H,2,5-6,16H2,1H3,(H,20,22)
InChIKeyXSLFBDQFQTUDBU-UHFFFAOYSA-N
XLogP-0.06
TPSA130.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2H,3H,4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 141774201
2-(dimethylamino)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetamide
CID 86805213
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
2-amino-6-fluoro-N-[4-[(3S)-piperidin-3-yl]oxy-3-pyridinyl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90212168
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-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
The IUPAC name of 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide (CID 90382399) is 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide.
What is the SMILES notation for 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
The canonical SMILES for 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide is CCOc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1.
What is the InChIKey of 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
The InChIKey is XSLFBDQFQTUDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN6O3/c1-2-24-10-3-4-17-7-9(10)20-14(22)11(12(16)21-23)13-18-5-8(15)6-19-13/h3-4,7-8,11-13,18-19H,2,5-6,16H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide?
3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide has a molecular weight of 340.36 g/mol, XLogP of -0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethoxy-3-pyridinyl)-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide is sourced from PubChem (CID 90382399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).