9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C18H24N4O2 — CID 56816256

IUPAC9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(=O)N1CCCN(Cc2cc(=O)n3cccc(C)c3n2)CC1
InChIInChI=1S/C18H24N4O2/c1-3-16(23)21-8-5-7-20(10-11-21)13-15-12-17(24)22-9-4-6-14(2)18(22)19-15/h4,6,9,12H,3,5,7-8,10-11,13H2,1-2H3
InChIKeyONSRRWOOQKVDMG-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.45
Rot. Bonds3

About 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56816256) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56816256
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC(=O)N1CCCN(Cc2cc(=O)n3cccc(C)c3n2)CC1
InChIInChI=1S/C18H24N4O2/c1-3-16(23)21-8-5-7-20(10-11-21)13-15-12-17(24)22-9-4-6-14(2)18(22)19-15/h4,6,9,12H,3,5,7-8,10-11,13H2,1-2H3
InChIKeyONSRRWOOQKVDMG-UHFFFAOYSA-N
XLogP1.45
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56816256) is 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CCC(=O)N1CCCN(Cc2cc(=O)n3cccc(C)c3n2)CC1.
What is the InChIKey of 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ONSRRWOOQKVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-16(23)21-8-5-7-20(10-11-21)13-15-12-17(24)22-9-4-6-14(2)18(22)19-15/h4,6,9,12H,3,5,7-8,10-11,13H2,1-2H3.
What are the key properties of 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(4-propanoyl-1,4-diazepan-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56816256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).