N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C15H20FN5O3 — CID 75305854

IUPACN-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)cn1
InChIInChI=1S/C15H20FN5O3/c16-10-1-2-11(17-9-10)19-14(22)7-12-18-13(8-15(23)20-12)21-3-5-24-6-4-21/h1-2,9,12-13,18H,3-8H2,(H,20,23)(H,17,19,22)
InChIKeyIPKGCQHBOJBBAN-UHFFFAOYSA-N
MW337.36 g/mol
LogP-0.36
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305854) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305854
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)cn1
InChIInChI=1S/C15H20FN5O3/c16-10-1-2-11(17-9-10)19-14(22)7-12-18-13(8-15(23)20-12)21-3-5-24-6-4-21/h1-2,9,12-13,18H,3-8H2,(H,20,23)(H,17,19,22)
InChIKeyIPKGCQHBOJBBAN-UHFFFAOYSA-N
XLogP-0.36
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305854) is N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is IPKGCQHBOJBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O3/c16-10-1-2-11(17-9-10)19-14(22)7-12-18-13(8-15(23)20-12)21-3-5-24-6-4-21/h1-2,9,12-13,18H,3-8H2,(H,20,23)(H,17,19,22).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 337.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).