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

C20H23N7O2 — CID 53302581

IUPAC7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCNC4)cc3)nc21
InChIInChI=1S/C20H23N7O2/c1-2-27-17(21)15(18(22)29)16(28)14-10-24-20(26-19(14)27)25-13-5-3-11(4-6-13)12-7-8-23-9-12/h3-6,10,12,23H,2,7-9,21H2,1H3,(H2,22,29)(H,24,25,26)
InChIKeyWFJNNWBNWZAZPP-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.31
Rot. Bonds5

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

7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53302581) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53302581
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCNC4)cc3)nc21
InChIInChI=1S/C20H23N7O2/c1-2-27-17(21)15(18(22)29)16(28)14-10-24-20(26-19(14)27)25-13-5-3-11(4-6-13)12-7-8-23-9-12/h3-6,10,12,23H,2,7-9,21H2,1H3,(H2,22,29)(H,24,25,26)
InChIKeyWFJNNWBNWZAZPP-UHFFFAOYSA-N
XLogP1.31
TPSA140.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)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-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302920
7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 70926185
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-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-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-(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-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 123568985
7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 67325664
6-(2,6-dichloro-4-pyrrolidin-3-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249838
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

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide (CID 53302581) is 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CCNC4)cc3)nc21.
What is the InChIKey of 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WFJNNWBNWZAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-2-27-17(21)15(18(22)29)16(28)14-10-24-20(26-19(14)27)25-13-5-3-11(4-6-13)12-7-8-23-9-12/h3-6,10,12,23H,2,7-9,21H2,1H3,(H2,22,29)(H,24,25,26).
What are the key properties of 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-ethyl-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53302581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).