4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one

C23H26N6O — CID 46900069

IUPAC4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CCN1
InChIInChI=1S/C23H26N6O/c30-22-15-29(11-10-26-22)23-19-7-8-24-14-17(19)12-20(28-23)16-6-9-25-21(13-16)27-18-4-2-1-3-5-18/h6-9,12-14,18H,1-5,10-11,15H2,(H,25,27)(H,26,30)
InChIKeyAFEHIEKUBMVKDH-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.37
Rot. Bonds4

About 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one

4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one (PubChem CID 46900069) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one
PubChem CID46900069
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CCN1
InChIInChI=1S/C23H26N6O/c30-22-15-29(11-10-26-22)23-19-7-8-24-14-17(19)12-20(28-23)16-6-9-25-21(13-16)27-18-4-2-1-3-5-18/h6-9,12-14,18H,1-5,10-11,15H2,(H,25,27)(H,26,30)
InChIKeyAFEHIEKUBMVKDH-UHFFFAOYSA-N
XLogP3.37
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one with MolForge

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Related Compounds

Wnt-974
CID 46926973
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
2-acetamido-N-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]acetamide
CID 11534762
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
CID 155289199
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272888

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one?
The IUPAC name of 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one (CID 46900069) is 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one.
What is the SMILES notation for 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one?
The canonical SMILES for 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one is O=C1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CCN1.
What is the InChIKey of 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one?
The InChIKey is AFEHIEKUBMVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c30-22-15-29(11-10-26-22)23-19-7-8-24-14-17(19)12-20(28-23)16-6-9-25-21(13-16)27-18-4-2-1-3-5-18/h6-9,12-14,18H,1-5,10-11,15H2,(H,25,27)(H,26,30).
What are the key properties of 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one?
4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one has a molecular weight of 402.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-2-one is sourced from PubChem (CID 46900069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).