3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide

C23H28N4O3 — CID 22423871

IUPAC3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCCC(C)C)nc3ncccc3c2=O)cc1
InChIInChI=1S/C23H28N4O3/c1-16(2)12-14-24-21(28)11-10-20-26-22-19(5-4-13-25-22)23(29)27(20)15-17-6-8-18(30-3)9-7-17/h4-9,13,16H,10-12,14-15H2,1-3H3,(H,24,28)
InChIKeyFQNUJNHMKLUODZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.94
Rot. Bonds9

About 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide

3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide (PubChem CID 22423871) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide
PubChem CID22423871
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCCC(C)C)nc3ncccc3c2=O)cc1
InChIInChI=1S/C23H28N4O3/c1-16(2)12-14-24-21(28)11-10-20-26-22-19(5-4-13-25-22)23(29)27(20)15-17-6-8-18(30-3)9-7-17/h4-9,13,16H,10-12,14-15H2,1-3H3,(H,24,28)
InChIKeyFQNUJNHMKLUODZ-UHFFFAOYSA-N
XLogP2.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide (CID 22423871) is 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide is COc1ccc(Cn2c(CCC(=O)NCCC(C)C)nc3ncccc3c2=O)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is FQNUJNHMKLUODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16(2)12-14-24-21(28)11-10-20-26-22-19(5-4-13-25-22)23(29)27(20)15-17-6-8-18(30-3)9-7-17/h4-9,13,16H,10-12,14-15H2,1-3H3,(H,24,28).
What are the key properties of 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide?
3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 22423871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).