N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide

C21H18N4O3 — CID 134009089

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
SMILESCn1c(=O)c2cc(NC(=O)Cc3ccc4ccccc4c3)cnc2n(C)c1=O
InChIInChI=1S/C21H18N4O3/c1-24-19-17(20(27)25(2)21(24)28)11-16(12-22-19)23-18(26)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H,23,26)
InChIKeyFCOMODMSYYMEBV-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.97
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide (PubChem CID 134009089) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
PubChem CID134009089
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
SMILESCn1c(=O)c2cc(NC(=O)Cc3ccc4ccccc4c3)cnc2n(C)c1=O
InChIInChI=1S/C21H18N4O3/c1-24-19-17(20(27)25(2)21(24)28)11-16(12-22-19)23-18(26)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H,23,26)
InChIKeyFCOMODMSYYMEBV-UHFFFAOYSA-N
XLogP1.97
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 134009111
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55457131
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-fluorophenyl)propanamide
CID 55457312
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55607526
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134009028
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 134009078
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
3-(2-chlorophenyl)sulfanyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 134008966
N-[4-[2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-iodobenzamide
CID 167957624
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide (CID 134009089) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide is Cn1c(=O)c2cc(NC(=O)Cc3ccc4ccccc4c3)cnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is FCOMODMSYYMEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-24-19-17(20(27)25(2)21(24)28)11-16(12-22-19)23-18(26)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12H,10H2,1-2H3,(H,23,26).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 374.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 134009089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).