3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one

C15H18N4O2 — CID 18165495

IUPAC3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2ncccc2c1=O)N1CCCCCC1
InChIInChI=1S/C15H18N4O2/c20-13(18-8-3-1-2-4-9-18)10-19-11-17-14-12(15(19)21)6-5-7-16-14/h5-7,11H,1-4,8-10H2
InChIKeyHCKLBKNUZCYNDA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.19
Rot. Bonds2

About 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one

3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 18165495) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID18165495
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2ncccc2c1=O)N1CCCCCC1
InChIInChI=1S/C15H18N4O2/c20-13(18-8-3-1-2-4-9-18)10-19-11-17-14-12(15(19)21)6-5-7-16-14/h5-7,11H,1-4,8-10H2
InChIKeyHCKLBKNUZCYNDA-UHFFFAOYSA-N
XLogP1.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one
CID 136569526
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
CID 59842863
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
3-[2-(azocan-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one
CID 51215364
(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
CID 97285326
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7118509

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one (CID 18165495) is 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one is O=C(Cn1cnc2ncccc2c1=O)N1CCCCCC1.
What is the InChIKey of 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HCKLBKNUZCYNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-13(18-8-3-1-2-4-9-18)10-19-11-17-14-12(15(19)21)6-5-7-16-14/h5-7,11H,1-4,8-10H2.
What are the key properties of 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one?
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18165495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).