N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C22H26N4O3 — CID 53096988

IUPACN,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C
InChIInChI=1S/C22H26N4O3/c1-6-25(7-2)20(27)17-12-15(4)23-19-18(17)21(28)26(22(29)24(19)5)13-16-10-8-14(3)9-11-16/h8-12H,6-7,13H2,1-5H3
InChIKeyUDVVBYRZQULTQV-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.24
Rot. Bonds5

About N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53096988) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53096988
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C
InChIInChI=1S/C22H26N4O3/c1-6-25(7-2)20(27)17-12-15(4)23-19-18(17)21(28)26(22(29)24(19)5)13-16-10-8-14(3)9-11-16/h8-12H,6-7,13H2,1-5H3
InChIKeyUDVVBYRZQULTQV-UHFFFAOYSA-N
XLogP2.24
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53096988) is N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C.
What is the InChIKey of N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UDVVBYRZQULTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-6-25(7-2)20(27)17-12-15(4)23-19-18(17)21(28)26(22(29)24(19)5)13-16-10-8-14(3)9-11-16/h8-12H,6-7,13H2,1-5H3.
What are the key properties of N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,7-dimethyl-3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53096988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).