7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C22H26N6O2 — CID 159115013

IUPAC7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCCCC4)cc3)nc21
InChIInChI=1S/C22H26N6O2/c1-2-28-19(23)17(20(24)30)18(29)16-12-25-22(27-21(16)28)26-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,2-7,23H2,1H3,(H2,24,30)(H,25,26,27)
InChIKeyKEYXNFNFLOKNFP-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.28
Rot. Bonds5

About 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159115013) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID159115013
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCCCC4)cc3)nc21
InChIInChI=1S/C22H26N6O2/c1-2-28-19(23)17(20(24)30)18(29)16-12-25-22(27-21(16)28)26-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,2-7,23H2,1H3,(H2,24,30)(H,25,26,27)
InChIKeyKEYXNFNFLOKNFP-UHFFFAOYSA-N
XLogP3.28
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-amino-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302920
7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302581
7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303431
7-amino-2-[3-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302578
7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 70926185
7-amino-2-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]anilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302471
7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303166
7-amino-8-ethyl-5-oxo-2-(1,2,3,4-tetrahydroisoquinolin-8-ylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302805
7-amino-2-[4-(1-cyclopropylpiperidin-4-yl)-2-methoxyanilino]-8-(2-hydroxy-2-methylpropyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 70926394
7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 67325664
8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 71096353
7-amino-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-2-fluoroanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303162

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 159115013) is 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCCCC4)cc3)nc21.
What is the InChIKey of 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KEYXNFNFLOKNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-2-28-19(23)17(20(24)30)18(29)16-12-25-22(27-21(16)28)26-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,2-7,23H2,1H3,(H2,24,30)(H,25,26,27).
What are the key properties of 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159115013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).