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

C19H29F2N7O2 — CID 90211967

IUPAC3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide
SMILESCN1CCC(c2c(F)cncc2NC(=O)C(C(N)N=O)C2NCC(F)CN2C)CC1
InChIInChI=1S/C19H29F2N7O2/c1-27-5-3-11(4-6-27)15-13(21)8-23-9-14(15)25-19(29)16(17(22)26-30)18-24-7-12(20)10-28(18)2/h8-9,11-12,16-18,24H,3-7,10,22H2,1-2H3,(H,25,29)
InChIKeyQAYBXDOXJPNYJI-UHFFFAOYSA-N
MW425.48 g/mol
LogP0.83
Rot. Bonds6

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

3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide (PubChem CID 90211967) has the molecular formula C19H29F2N7O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide
PubChem CID90211967
Molecular FormulaC19H29F2N7O2
Molecular Weight425.48 g/mol
Exact Mass425.24
IUPAC Name3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide
SMILESCN1CCC(c2c(F)cncc2NC(=O)C(C(N)N=O)C2NCC(F)CN2C)CC1
InChIInChI=1S/C19H29F2N7O2/c1-27-5-3-11(4-6-27)15-13(21)8-23-9-14(15)25-19(29)16(17(22)26-30)18-24-7-12(20)10-28(18)2/h8-9,11-12,16-18,24H,3-7,10,22H2,1-2H3,(H,25,29)
InChIKeyQAYBXDOXJPNYJI-UHFFFAOYSA-N
XLogP0.83
TPSA115.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide?
The IUPAC name of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide (CID 90211967) is 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide.
What is the SMILES notation for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide?
The canonical SMILES for 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide is CN1CCC(c2c(F)cncc2NC(=O)C(C(N)N=O)C2NCC(F)CN2C)CC1.
What is the InChIKey of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide?
The InChIKey is QAYBXDOXJPNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N7O2/c1-27-5-3-11(4-6-27)15-13(21)8-23-9-14(15)25-19(29)16(17(22)26-30)18-24-7-12(20)10-28(18)2/h8-9,11-12,16-18,24H,3-7,10,22H2,1-2H3,(H,25,29).
What are the key properties of 3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide?
3-amino-2-(5-fluoro-1-methyl-1,3-diazinan-2-yl)-N-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide has a molecular weight of 425.48 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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-[5-fluoro-4-(1-methylpiperidin-4-yl)-3-pyridinyl]-3-nitrosopropanamide is sourced from PubChem (CID 90211967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).