1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C21H24N6O4 — CID 55581069

IUPAC1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(NC(=O)NC)cc3)cc(C(C)C)nc21
InChIInChI=1S/C21H24N6O4/c1-5-27-17-16(19(29)26-21(27)31)14(10-15(25-17)11(2)3)18(28)23-12-6-8-13(9-7-12)24-20(30)22-4/h6-11H,5H2,1-4H3,(H,23,28)(H2,22,24,30)(H,26,29,31)
InChIKeyBBAHTBASKVFCKI-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.23
Rot. Bonds5

About 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55581069) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55581069
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(NC(=O)NC)cc3)cc(C(C)C)nc21
InChIInChI=1S/C21H24N6O4/c1-5-27-17-16(19(29)26-21(27)31)14(10-15(25-17)11(2)3)18(28)23-12-6-8-13(9-7-12)24-20(30)22-4/h6-11H,5H2,1-4H3,(H,23,28)(H2,22,24,30)(H,26,29,31)
InChIKeyBBAHTBASKVFCKI-UHFFFAOYSA-N
XLogP2.23
TPSA137.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55581069) is 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(NC(=O)NC)cc3)cc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BBAHTBASKVFCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-5-27-17-16(19(29)26-21(27)31)14(10-15(25-17)11(2)3)18(28)23-12-6-8-13(9-7-12)24-20(30)22-4/h6-11H,5H2,1-4H3,(H,23,28)(H2,22,24,30)(H,26,29,31).
What are the key properties of 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(methylcarbamoylamino)phenyl]-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55581069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).