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

C14H22FN7O3 — CID 90382544

IUPAC3-amino-2-(5-fluoro-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)CN2)cn1
InChIInChI=1S/C14H22FN7O3/c1-17-10-3-9(25-2)8(6-18-10)21-14(23)11(12(16)22-24)13-19-4-7(15)5-20-13/h3,6-7,11-13,19-20H,4-5,16H2,1-2H3,(H,17,18)(H,21,23)
InChIKeyWCZBUIRNKVWLCV-UHFFFAOYSA-N
MW355.37 g/mol
LogP-0.41
Rot. Bonds7

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

3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide (PubChem CID 90382544) has the molecular formula C14H22FN7O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide
PubChem CID90382544
Molecular FormulaC14H22FN7O3
Molecular Weight355.37 g/mol
Exact Mass355.18
IUPAC Name3-amino-2-(5-fluoro-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)CN2)cn1
InChIInChI=1S/C14H22FN7O3/c1-17-10-3-9(25-2)8(6-18-10)21-14(23)11(12(16)22-24)13-19-4-7(15)5-20-13/h3,6-7,11-13,19-20H,4-5,16H2,1-2H3,(H,17,18)(H,21,23)
InChIKeyWCZBUIRNKVWLCV-UHFFFAOYSA-N
XLogP-0.41
TPSA142.76 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide (CID 90382544) is 3-amino-2-(5-fluoro-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-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-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)CN2)cn1.
What is the InChIKey of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
The InChIKey is WCZBUIRNKVWLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN7O3/c1-17-10-3-9(25-2)8(6-18-10)21-14(23)11(12(16)22-24)13-19-4-7(15)5-20-13/h3,6-7,11-13,19-20H,4-5,16H2,1-2H3,(H,17,18)(H,21,23).
What are the key properties of 3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide?
3-amino-2-(5-fluoro-1,3-diazinan-2-yl)-N-[4-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide has a molecular weight of 355.37 g/mol, XLogP of -0.41, 7 rotatable bonds, 5 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-methoxy-6-(methylamino)-3-pyridinyl]-3-nitrosopropanamide is sourced from PubChem (CID 90382544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).