3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide

C16H25FN6O3 — CID 90382385

IUPAC3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide
SMILESCC(C)(C)Oc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1
InChIInChI=1S/C16H25FN6O3/c1-16(2,3)26-11-4-5-19-8-10(11)22-15(24)12(13(18)23-25)14-20-6-9(17)7-21-14/h4-5,8-9,12-14,20-21H,6-7,18H2,1-3H3,(H,22,24)
InChIKeyKEBHIRLBJNKYCM-UHFFFAOYSA-N
MW368.41 g/mol
LogP0.72
Rot. Bonds6

About 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide

3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide (PubChem CID 90382385) has the molecular formula C16H25FN6O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide
PubChem CID90382385
Molecular FormulaC16H25FN6O3
Molecular Weight368.41 g/mol
Exact Mass368.20
IUPAC Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide
SMILESCC(C)(C)Oc1ccncc1NC(=O)C(C(N)N=O)C1NCC(F)CN1
InChIInChI=1S/C16H25FN6O3/c1-16(2,3)26-11-4-5-19-8-10(11)22-15(24)12(13(18)23-25)14-20-6-9(17)7-21-14/h4-5,8-9,12-14,20-21H,6-7,18H2,1-3H3,(H,22,24)
InChIKeyKEBHIRLBJNKYCM-UHFFFAOYSA-N
XLogP0.72
TPSA130.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-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-(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
3-amino-N-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-pyridinyl]-2-(5-fluoro-1,3-diazinan-2-yl)-3-nitrosopropanamide
CID 90382337

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide (CID 90382385) is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide.
What is the SMILES notation for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide is CC(C)(C)Oc1ccncc1NC(=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-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide?
The InChIKey is KEBHIRLBJNKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN6O3/c1-16(2,3)26-11-4-5-19-8-10(11)22-15(24)12(13(18)23-25)14-20-6-9(17)7-21-14/h4-5,8-9,12-14,20-21H,6-7,18H2,1-3H3,(H,22,24).
What are the key properties of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide?
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide has a molecular weight of 368.41 g/mol, XLogP of 0.72, 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-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-nitrosopropanamide is sourced from PubChem (CID 90382385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).