7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C20H24N8O3 — CID 67325664

IUPAC7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C20H24N8O3/c21-5-6-28-17(22)15(18(23)30)16(29)14-11-24-20(26-19(14)28)25-12-1-3-13(4-2-12)27-7-9-31-10-8-27/h1-4,11H,5-10,21-22H2,(H2,23,30)(H,24,25,26)
InChIKeyAPHXMUGLFWSRQV-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.01
Rot. Bonds6

About 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67325664) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID67325664
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESNCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc21
InChIInChI=1S/C20H24N8O3/c21-5-6-28-17(22)15(18(23)30)16(29)14-11-24-20(26-19(14)28)25-12-1-3-13(4-2-12)27-7-9-31-10-8-27/h1-4,11H,5-10,21-22H2,(H2,23,30)(H,24,25,26)
InChIKeyAPHXMUGLFWSRQV-UHFFFAOYSA-N
XLogP0.01
TPSA167.41 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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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-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-cyclohexylanilino)-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 159115013
7-amino-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-2-fluoroanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303162
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-5-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 53302581
7-amino-2-[4-(4-cyclopropylpiperazin-1-yl)-2-ethylanilino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53303166
tert-butyl 4-[4-[(7-amino-6-carbamoyl-8-ethyl-5-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoro-5-methoxyphenyl]piperazine-1-carboxylate
CID 86673136
methyl 2-[[5-(aminomethyl)-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propanoate
CID 118626972
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[4-(morpholine-4-carbonyl)anilino]pyrimidine-5-carboxamide
CID 177309965
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 117077407
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 67325664) is 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is NCCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc21.
What is the InChIKey of 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is APHXMUGLFWSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c21-5-6-28-17(22)15(18(23)30)16(29)14-11-24-20(26-19(14)28)25-12-1-3-13(4-2-12)27-7-9-31-10-8-27/h1-4,11H,5-10,21-22H2,(H2,23,30)(H,24,25,26).
What are the key properties of 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67325664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).