N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C25H24N4O4 — CID 55659392

IUPACN-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O4/c1-4-33-18-12-10-17(11-13-18)21(16-8-6-5-7-9-16)27-23(30)20-15-14-19-22(26-20)28(2)25(32)29(3)24(19)31/h5-15,21H,4H2,1-3H3,(H,27,30)
InChIKeyHDDKBFNPQPRXGM-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 55659392) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID55659392
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O4/c1-4-33-18-12-10-17(11-13-18)21(16-8-6-5-7-9-16)27-23(30)20-15-14-19-22(26-20)28(2)25(32)29(3)24(19)31/h5-15,21H,4H2,1-3H3,(H,27,30)
InChIKeyHDDKBFNPQPRXGM-UHFFFAOYSA-N
XLogP2.55
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51941646
1,3-dimethyl-2,4-dioxo-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39630963
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30853289
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 25390284
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 55369675
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 51587792
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119432864
N-(4-ethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737849

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 55659392) is N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is CCOc1ccc(C(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HDDKBFNPQPRXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-4-33-18-12-10-17(11-13-18)21(16-8-6-5-7-9-16)27-23(30)20-15-14-19-22(26-20)28(2)25(32)29(3)24(19)31/h5-15,21H,4H2,1-3H3,(H,27,30).
What are the key properties of N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 55659392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).