2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide

C23H30N4O4 — CID 92620209

IUPAC2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C(C)(C)OC)nc32)c1
InChIInChI=1S/C23H30N4O4/c1-15-18-10-11-20(28)27(13-16-8-7-9-17(12-16)30-5)21(18)25-19(24-15)14-26(4)22(29)23(2,3)31-6/h7-9,12H,10-11,13-14H2,1-6H3
InChIKeyXOABJJJHLDGRIF-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.66
Rot. Bonds7

About 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide

2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide (PubChem CID 92620209) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide
PubChem CID92620209
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C(C)(C)OC)nc32)c1
InChIInChI=1S/C23H30N4O4/c1-15-18-10-11-20(28)27(13-16-8-7-9-17(12-16)30-5)21(18)25-19(24-15)14-26(4)22(29)23(2,3)31-6/h7-9,12H,10-11,13-14H2,1-6H3
InChIKeyXOABJJJHLDGRIF-UHFFFAOYSA-N
XLogP2.66
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide with MolForge

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Related Compounds

N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92620179
(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
CID 92620206
N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-[(2S)-oxolan-2-yl]acetamide
CID 92620167
8-[(3-fluorophenyl)methyl]-2-[(2S)-1-(2-methoxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630503
N-[[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761
N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropanamide
CID 92620143
N,1-dimethyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]pyrazole-4-carboxamide
CID 92619978
2-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92620162
7-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-propanoylpiperidin-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261597
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
7-[(3-methoxyphenyl)methyl]-4-methyl-2-piperidin-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride
CID 167995610

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide (CID 92620209) is 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide is COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C(C)(C)OC)nc32)c1.
What is the InChIKey of 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide?
The InChIKey is XOABJJJHLDGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-15-18-10-11-20(28)27(13-16-8-7-9-17(12-16)30-5)21(18)25-19(24-15)14-26(4)22(29)23(2,3)31-6/h7-9,12H,10-11,13-14H2,1-6H3.
What are the key properties of 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide?
2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide has a molecular weight of 426.52 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 92620209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).