7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

C21H25N7O4S — CID 53303431

IUPAC7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21
InChIInChI=1S/C21H25N7O4S/c1-2-28-18(22)16(19(23)30)17(29)15-12-24-21(26-20(15)28)25-13-6-8-14(9-7-13)33(31,32)27-10-4-3-5-11-27/h6-9,12H,2-5,10-11,22H2,1H3,(H2,23,30)(H,24,25,26)
InChIKeyXNCAXOHXQKSYNS-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.41
Rot. Bonds6

About 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53303431) has the molecular formula C21H25N7O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53303431
Molecular FormulaC21H25N7O4S
Molecular Weight471.54 g/mol
Exact Mass471.17
IUPAC Name7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21
InChIInChI=1S/C21H25N7O4S/c1-2-28-18(22)16(19(23)30)17(29)15-12-24-21(26-20(15)28)25-13-6-8-14(9-7-13)33(31,32)27-10-4-3-5-11-27/h6-9,12H,2-5,10-11,22H2,1H3,(H2,23,30)(H,24,25,26)
InChIKeyXNCAXOHXQKSYNS-UHFFFAOYSA-N
XLogP1.41
TPSA166.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-amino-2-(4-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 159115013
7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302581
7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 67325664
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
tert-butyl 4-[4-[(7-cyclopentyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]sulfonylpiperazine-1-carboxylate
CID 58016017
7-amino-8-ethyl-5-oxo-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
CID 58455491
2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(4-morpholin-4-ylsulfonylanilino)pyrimidine-5-carboxamide
CID 59199881
7-methyl-2-(4-pyrrolidin-1-ylsulfonylanilino)-5H-pyrimido[5,4-d][1]benzazepin-6-one
CID 59852010
4-N-(4-fluorophenyl)-2-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 141211169
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 108807916

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 53303431) is 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc21.
What is the InChIKey of 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XNCAXOHXQKSYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O4S/c1-2-28-18(22)16(19(23)30)17(29)15-12-24-21(26-20(15)28)25-13-6-8-14(9-7-13)33(31,32)27-10-4-3-5-11-27/h6-9,12H,2-5,10-11,22H2,1H3,(H2,23,30)(H,24,25,26).
What are the key properties of 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-5-oxo-2-(4-piperidin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53303431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).