1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C19H22N6O2 — CID 91949310

IUPAC1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2C(C(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H22N6O2/c1-14(26)25-12-15-4-2-5-20-17(15)16(13-25)18(27)23-8-10-24(11-9-23)19-21-6-3-7-22-19/h2-7,16H,8-13H2,1H3
InChIKeyCPGWXBWCABJVFG-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.67
Rot. Bonds2

About 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 91949310) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID91949310
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2C(C(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H22N6O2/c1-14(26)25-12-15-4-2-5-20-17(15)16(13-25)18(27)23-8-10-24(11-9-23)19-21-6-3-7-22-19/h2-7,16H,8-13H2,1H3
InChIKeyCPGWXBWCABJVFG-UHFFFAOYSA-N
XLogP0.67
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[8-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91949181
1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91949232
1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91949318
6-acetyl-N-(1-pyridin-2-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949302
(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone
CID 91949327
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354
6-acetyl-N-(1-phenylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949112
6-acetyl-N-[2-(4-fluorophenyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949305
6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949173
6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949133
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 91949310) is 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is CC(=O)N1Cc2cccnc2C(C(=O)N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is CPGWXBWCABJVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14(26)25-12-15-4-2-5-20-17(15)16(13-25)18(27)23-8-10-24(11-9-23)19-21-6-3-7-22-19/h2-7,16H,8-13H2,1H3.
What are the key properties of 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 366.43 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 91949310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).