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

C20H22N4O2 — CID 8606941

IUPAC3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
SMILESCc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)CC(C)(C)C)c1
InChIInChI=1S/C20H22N4O2/c1-13-22-18-16(9-6-10-21-18)19(26)24(13)15-8-5-7-14(11-15)23-17(25)12-20(2,3)4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyHHNCIKGSFNCRFA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.46
Rot. Bonds3

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

3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide (PubChem CID 8606941) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
PubChem CID8606941
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
SMILESCc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)CC(C)(C)C)c1
InChIInChI=1S/C20H22N4O2/c1-13-22-18-16(9-6-10-21-18)19(26)24(13)15-8-5-7-14(11-15)23-17(25)12-20(2,3)4/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyHHNCIKGSFNCRFA-UHFFFAOYSA-N
XLogP3.46
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606946
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966
4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607046
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 86151328
3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
CID 8606681
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16812884
2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606668
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide (CID 8606941) is 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide is Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)CC(C)(C)C)c1.
What is the InChIKey of 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
The InChIKey is HHNCIKGSFNCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-22-18-16(9-6-10-21-18)19(26)24(13)15-8-5-7-14(11-15)23-17(25)12-20(2,3)4/h5-11H,12H2,1-4H3,(H,23,25).
What are the key properties of 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide?
3,3-dimethyl-N-[3-(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, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide is sourced from PubChem (CID 8606941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).