2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide

C20H22N4O2 — CID 8606668

IUPAC2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-n2c(C)nc3ncccc3c2=O)cc1
InChIInChI=1S/C20H22N4O2/c1-4-14(5-2)19(25)23-15-8-10-16(11-9-15)24-13(3)22-18-17(20(24)26)7-6-12-21-18/h6-12,14H,4-5H2,1-3H3,(H,23,25)
InChIKeyRMEKEOCHQFNPQK-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.46
Rot. Bonds5

About 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide

2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide (PubChem CID 8606668) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
PubChem CID8606668
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-n2c(C)nc3ncccc3c2=O)cc1
InChIInChI=1S/C20H22N4O2/c1-4-14(5-2)19(25)23-15-8-10-16(11-9-15)24-13(3)22-18-17(20(24)26)7-6-12-21-18/h6-12,14H,4-5H2,1-3H3,(H,23,25)
InChIKeyRMEKEOCHQFNPQK-UHFFFAOYSA-N
XLogP3.46
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476
N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 18569220
3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
CID 8606681
3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606492
N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606946
3-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-nitrobenzamide
CID 8606712
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606941
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 86151328
2-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]sulfonylguanidine
CID 155816329

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide (CID 8606668) is 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(-n2c(C)nc3ncccc3c2=O)cc1.
What is the InChIKey of 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The InChIKey is RMEKEOCHQFNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-14(5-2)19(25)23-15-8-10-16(11-9-15)24-13(3)22-18-17(20(24)26)7-6-12-21-18/h6-12,14H,4-5H2,1-3H3,(H,23,25).
What are the key properties of 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide is sourced from PubChem (CID 8606668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).