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

C21H25N7O3 — CID 123984027

IUPAC7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(N(Cc3ccccc3)N3CCOCC3)nc21
InChIInChI=1S/C21H25N7O3/c1-2-27-18(22)16(19(23)30)17(29)15-12-24-21(25-20(15)27)28(26-8-10-31-11-9-26)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13,22H2,1H3,(H2,23,30)
InChIKeyAGJFIIGRIGXQTD-UHFFFAOYSA-N
MW423.48 g/mol
LogP0.75
Rot. Bonds6

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

7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 123984027) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID123984027
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(N)c(C(N)=O)c(=O)c2cnc(N(Cc3ccccc3)N3CCOCC3)nc21
InChIInChI=1S/C21H25N7O3/c1-2-27-18(22)16(19(23)30)17(29)15-12-24-21(25-20(15)27)28(26-8-10-31-11-9-26)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13,22H2,1H3,(H2,23,30)
InChIKeyAGJFIIGRIGXQTD-UHFFFAOYSA-N
XLogP0.75
TPSA132.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 123984027) is 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(N)c(C(N)=O)c(=O)c2cnc(N(Cc3ccccc3)N3CCOCC3)nc21.
What is the InChIKey of 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AGJFIIGRIGXQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-2-27-18(22)16(19(23)30)17(29)15-12-24-21(25-20(15)27)28(26-8-10-31-11-9-26)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13,22H2,1H3,(H2,23,30).
What are the key properties of 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[benzyl(morpholin-4-yl)amino]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 123984027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).