8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C27H28N6O — CID 155458554

IUPAC8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN(C)CCc1cccc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc12
InChIInChI=1S/C27H28N6O/c1-32(2)13-12-18-6-5-7-19-15-22(10-11-24(18)19)30-27-29-17-21-14-20(16-28)26(34)33(25(21)31-27)23-8-3-4-9-23/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,29,30,31)
InChIKeyHQSRORILWSWATB-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.78
Rot. Bonds6

About 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458554) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458554
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN(C)CCc1cccc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc12
InChIInChI=1S/C27H28N6O/c1-32(2)13-12-18-6-5-7-19-15-22(10-11-24(18)19)30-27-29-17-21-14-20(16-28)26(34)33(25(21)31-27)23-8-3-4-9-23/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,29,30,31)
InChIKeyHQSRORILWSWATB-UHFFFAOYSA-N
XLogP4.78
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458554) is 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CN(C)CCc1cccc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc12.
What is the InChIKey of 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is HQSRORILWSWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-32(2)13-12-18-6-5-7-19-15-22(10-11-24(18)19)30-27-29-17-21-14-20(16-28)26(34)33(25(21)31-27)23-8-3-4-9-23/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,29,30,31).
What are the key properties of 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 452.56 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).