5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one

C30H32N6O2 — CID 135327565

IUPAC5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one
SMILESCc1ccc2c(N3C(=O)CCC3C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
InChIInChI=1S/C30H32N6O2/c1-19-10-12-22-23(7-3-9-26(22)36-20(2)11-13-27(36)37)28(19)38-29-24(8-5-16-32-29)25-14-17-33-30(35-25)34-21-6-4-15-31-18-21/h3,5,7-10,12,14,16-17,20-21,31H,4,6,11,13,15,18H2,1-2H3,(H,33,34,35)
InChIKeyYNKBIBRVCPPITQ-UHFFFAOYSA-N
MW508.63 g/mol
LogP5.47
Rot. Bonds6

About 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one

5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one (PubChem CID 135327565) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one
PubChem CID135327565
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one
SMILESCc1ccc2c(N3C(=O)CCC3C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
InChIInChI=1S/C30H32N6O2/c1-19-10-12-22-23(7-3-9-26(22)36-20(2)11-13-27(36)37)28(19)38-29-24(8-5-16-32-29)25-14-17-33-30(35-25)34-21-6-4-15-31-18-21/h3,5,7-10,12,14,16-17,20-21,31H,4,6,11,13,15,18H2,1-2H3,(H,33,34,35)
InChIKeyYNKBIBRVCPPITQ-UHFFFAOYSA-N
XLogP5.47
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-[2-[2-methyl-5-(2-methyl-5-oxopyrrolidin-1-yl)naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135326743
(3R)-3-(fluoromethyl)-1-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one
CID 135327058
cis-(1S,2R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopropane-1-carboxamide
CID 135328260
trans-(1S,2S)-2-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopropane-1-carboxamide
CID 135328110
(1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
CID 135328289
N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide
CID 135327224
(1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
CID 135328275
(2R)-1-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propan-2-ol
CID 175024623
2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propanamide;hydrochloride
CID 135326929
N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide
CID 135328335
4-[2-[5-[[2-(fluoromethyl)phenyl]methylsulfonylmethyl]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 147099491
4-[2-[5-(3-fluoropropylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]-N-piperidin-3-ylpyrimidin-2-amine
CID 135328366

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one?
The IUPAC name of 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one (CID 135327565) is 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one is Cc1ccc2c(N3C(=O)CCC3C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.
What is the InChIKey of 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one?
The InChIKey is YNKBIBRVCPPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-19-10-12-22-23(7-3-9-26(22)36-20(2)11-13-27(36)37)28(19)38-29-24(8-5-16-32-29)25-14-17-33-30(35-25)34-21-6-4-15-31-18-21/h3,5,7-10,12,14,16-17,20-21,31H,4,6,11,13,15,18H2,1-2H3,(H,33,34,35).
What are the key properties of 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one?
5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one has a molecular weight of 508.63 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 135327565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).