N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide

C21H24N4O3 — CID 16841104

IUPACN-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide
SMILESCCCc1cnc2c(c1NC(=O)CCc1ccccc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O3/c1-4-8-15-13-22-19-17(20(27)25(3)21(28)24(19)2)18(15)23-16(26)12-11-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,22,23,26)
InChIKeyXEBZIFIAAPXRJA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.16
Rot. Bonds6

About N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide

N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide (PubChem CID 16841104) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide
PubChem CID16841104
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide
SMILESCCCc1cnc2c(c1NC(=O)CCc1ccccc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O3/c1-4-8-15-13-22-19-17(20(27)25(3)21(28)24(19)2)18(15)23-16(26)12-11-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,22,23,26)
InChIKeyXEBZIFIAAPXRJA-UHFFFAOYSA-N
XLogP2.16
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841095
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2-phenylbutanamide
CID 16841101
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2,2-dimethylpropanamide
CID 16840994
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841013
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-4-methoxybenzamide
CID 16841024
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16840961
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16840940
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 16841033
2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16840851
N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 16841250
2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoic acid
CID 18585397

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide (CID 16841104) is N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide is CCCc1cnc2c(c1NC(=O)CCc1ccccc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide?
The InChIKey is XEBZIFIAAPXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-8-15-13-22-19-17(20(27)25(3)21(28)24(19)2)18(15)23-16(26)12-11-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,22,23,26).
What are the key properties of N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide?
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide has a molecular weight of 380.45 g/mol, XLogP of 2.16, 6 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-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 16841104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).