10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione

C18H21N5O2 — CID 135412907

IUPAC10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione
SMILESCCn1c2nc(C)ccc2c(=O)c2c(=O)[nH]c(N3CCCCC3)nc21
InChIInChI=1S/C18H21N5O2/c1-3-23-15-12(8-7-11(2)19-15)14(24)13-16(23)20-18(21-17(13)25)22-9-5-4-6-10-22/h7-8H,3-6,9-10H2,1-2H3,(H,20,21,25)
InChIKeyZJMZZTBDEHTTKP-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.95
Rot. Bonds2

About 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione

10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione (PubChem CID 135412907) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione.

Molecular Properties

Compound Name10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione
PubChem CID135412907
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione
SMILESCCn1c2nc(C)ccc2c(=O)c2c(=O)[nH]c(N3CCCCC3)nc21
InChIInChI=1S/C18H21N5O2/c1-3-23-15-12(8-7-11(2)19-15)14(24)13-16(23)20-18(21-17(13)25)22-9-5-4-6-10-22/h7-8H,3-6,9-10H2,1-2H3,(H,20,21,25)
InChIKeyZJMZZTBDEHTTKP-UHFFFAOYSA-N
XLogP1.95
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione with MolForge

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Related Compounds

1-ethyl-7-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carbonitrile
CID 12818631
9-methyl-7-(3-phenylpropyl)-2-piperidin-1-yl-1H-purine-6,8-dione
CID 135720959
1-ethyl-7-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
CID 23349956
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
CID 10470853
1-ethyl-7-methyl-4-morpholin-4-yl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524630
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135846108
7-methyl-2-oxo-1-prop-2-enyl-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 20524649
5-(4-methylphenyl)-2-piperidin-1-yl-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659195
7-[(5-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680848
5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135873029
6-(4-methylphenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135994221

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione?
The IUPAC name of 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione (CID 135412907) is 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione.
What is the SMILES notation for 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione?
The canonical SMILES for 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione is CCn1c2nc(C)ccc2c(=O)c2c(=O)[nH]c(N3CCCCC3)nc21.
What is the InChIKey of 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione?
The InChIKey is ZJMZZTBDEHTTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-23-15-12(8-7-11(2)19-15)14(24)13-16(23)20-18(21-17(13)25)22-9-5-4-6-10-22/h7-8H,3-6,9-10H2,1-2H3,(H,20,21,25).
What are the key properties of 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione?
10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione has a molecular weight of 339.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-8-methyl-2-piperidin-1-yl-3H-pyrimido[4,5-b][1,8]naphthyridine-4,5-dione is sourced from PubChem (CID 135412907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).