[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone

C30H38N6O2 — CID 46900385

IUPAC[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCC(O)CC1
InChIInChI=1S/C30H38N6O2/c37-25-10-16-36(17-11-25)30(38)21-8-14-35(15-9-21)29-26-7-12-31-20-23(26)18-27(34-29)22-6-13-32-28(19-22)33-24-4-2-1-3-5-24/h6-7,12-13,18-21,24-25,37H,1-5,8-11,14-17H2,(H,32,33)
InChIKeyBLNGFNJDCGJBOS-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.64
Rot. Bonds5

About [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone

[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 46900385) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID46900385
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Name[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCC(O)CC1
InChIInChI=1S/C30H38N6O2/c37-25-10-16-36(17-11-25)30(38)21-8-14-35(15-9-21)29-26-7-12-31-20-23(26)18-27(34-29)22-6-13-32-28(19-22)33-24-4-2-1-3-5-24/h6-7,12-13,18-21,24-25,37H,1-5,8-11,14-17H2,(H,32,33)
InChIKeyBLNGFNJDCGJBOS-UHFFFAOYSA-N
XLogP4.64
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)-amide
CID 46900891
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]-N-methylazetidine-3-carboxamide
CID 166547139
(3R)-3-quinolin-3-yl-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 44395933
(3S)-3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]piperidin-4-yl]propanoic acid
CID 44396023
1-(3-Hydroxypropylamino-3-(2-methylaminopyridin-4-yl)[2,6]-naphthyridine
CID 25020248
2-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-ylamino]ethanol
CID 25020305
4-(3-Pyridin-4-yl-[2,6]naphthyridin-1-yl)piperazin-2-one
CID 25113050

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 46900385) is [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone is O=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCC(O)CC1.
What is the InChIKey of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BLNGFNJDCGJBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c37-25-10-16-36(17-11-25)30(38)21-8-14-35(15-9-21)29-26-7-12-31-20-23(26)18-27(34-29)22-6-13-32-28(19-22)33-24-4-2-1-3-5-24/h6-7,12-13,18-21,24-25,37H,1-5,8-11,14-17H2,(H,32,33).
What are the key properties of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone?
[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 514.67 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 46900385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).