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

C21H31FN8O3 — CID 90382505

IUPAC3-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
SMILESCN1CC2(CCN(c3ccncc3NC(=O)C(C(N)N=O)C3NCC(F)CN3)CC2)CC1=O
InChIInChI=1S/C21H31FN8O3/c1-29-12-21(8-16(29)31)3-6-30(7-4-21)15-2-5-24-11-14(15)27-20(32)17(18(23)28-33)19-25-9-13(22)10-26-19/h2,5,11,13,17-19,25-26H,3-4,6-10,12,23H2,1H3,(H,27,32)
InChIKeyWEXWKLDDBXVCFA-UHFFFAOYSA-N
MW462.53 g/mol
LogP-0.01
Rot. Bonds6

About 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

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 (PubChem CID 90382505) has the molecular formula C21H31FN8O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID90382505
Molecular FormulaC21H31FN8O3
Molecular Weight462.53 g/mol
Exact Mass462.25
IUPAC Name3-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
SMILESCN1CC2(CCN(c3ccncc3NC(=O)C(C(N)N=O)C3NCC(F)CN3)CC2)CC1=O
InChIInChI=1S/C21H31FN8O3/c1-29-12-21(8-16(29)31)3-6-30(7-4-21)15-2-5-24-11-14(15)27-20(32)17(18(23)28-33)19-25-9-13(22)10-26-19/h2,5,11,13,17-19,25-26H,3-4,6-10,12,23H2,1H3,(H,27,32)
InChIKeyWEXWKLDDBXVCFA-UHFFFAOYSA-N
XLogP-0.01
TPSA145.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC2(CCN(c3ccncc3NC(=O)C(C(N)N=O)C3NCC(F)CN3)CC2)CC1=O.
What is the InChIKey of 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?
The InChIKey is WEXWKLDDBXVCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN8O3/c1-29-12-21(8-16(29)31)3-6-30(7-4-21)15-2-5-24-11-14(15)27-20(32)17(18(23)28-33)19-25-9-13(22)10-26-19/h2,5,11,13,17-19,25-26H,3-4,6-10,12,23H2,1H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 462.53 g/mol, XLogP of -0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 9 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-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-nitrosopropanamide is sourced from PubChem (CID 90382505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).