3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide

C15H24FN7O3 — CID 129134662

IUPAC3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide
SMILESCNc1cc(OC)c(NC(=O)C(C(N)N=O)C2NCC(F)CN2C)cn1
InChIInChI=1S/C15H24FN7O3/c1-18-11-4-10(26-3)9(6-19-11)21-15(24)12(13(17)22-25)14-20-5-8(16)7-23(14)2/h4,6,8,12-14,20H,5,7,17H2,1-3H3,(H,18,19)(H,21,24)
InChIKeyZTPPZKVFAGUFKB-UHFFFAOYSA-N
MW369.40 g/mol
LogP-0.06
Rot. Bonds7

About 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide

3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide (PubChem CID 129134662) has the molecular formula C15H24FN7O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide
PubChem CID129134662
Molecular FormulaC15H24FN7O3
Molecular Weight369.40 g/mol
Exact Mass369.19
IUPAC Name3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide
SMILESCNc1cc(OC)c(NC(=O)C(C(N)N=O)C2NCC(F)CN2C)cn1
InChIInChI=1S/C15H24FN7O3/c1-18-11-4-10(26-3)9(6-19-11)21-15(24)12(13(17)22-25)14-20-5-8(16)7-23(14)2/h4,6,8,12-14,20H,5,7,17H2,1-3H3,(H,18,19)(H,21,24)
InChIKeyZTPPZKVFAGUFKB-UHFFFAOYSA-N
XLogP-0.06
TPSA133.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide (CID 129134662) is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide.
What is the SMILES notation for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide is CNc1cc(OC)c(NC(=O)C(C(N)N=O)C2NCC(F)CN2C)cn1.
What is the InChIKey of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
The InChIKey is ZTPPZKVFAGUFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN7O3/c1-18-11-4-10(26-3)9(6-19-11)21-15(24)12(13(17)22-25)14-20-5-8(16)7-23(14)2/h4,6,8,12-14,20H,5,7,17H2,1-3H3,(H,18,19)(H,21,24).
What are the key properties of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide has a molecular weight of 369.40 g/mol, XLogP of -0.06, 7 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-methyl-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide is sourced from PubChem (CID 129134662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).