N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C17H20FN5O3 — CID 75305830

IUPACN-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESN#Cc1cc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)ccc1F
InChIInChI=1S/C17H20FN5O3/c18-13-2-1-12(7-11(13)10-19)20-16(24)8-14-21-15(9-17(25)22-14)23-3-5-26-6-4-23/h1-2,7,14-15,21H,3-6,8-9H2,(H,20,24)(H,22,25)
InChIKeyNHTSCNXEUVEYPW-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.12
Rot. Bonds4

About N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305830) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305830
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESN#Cc1cc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)ccc1F
InChIInChI=1S/C17H20FN5O3/c18-13-2-1-12(7-11(13)10-19)20-16(24)8-14-21-15(9-17(25)22-14)23-3-5-26-6-4-23/h1-2,7,14-15,21H,3-6,8-9H2,(H,20,24)(H,22,25)
InChIKeyNHTSCNXEUVEYPW-UHFFFAOYSA-N
XLogP0.12
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305830) is N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is N#Cc1cc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is NHTSCNXEUVEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c18-13-2-1-12(7-11(13)10-19)20-16(24)8-14-21-15(9-17(25)22-14)23-3-5-26-6-4-23/h1-2,7,14-15,21H,3-6,8-9H2,(H,20,24)(H,22,25).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 361.38 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).