N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide

C20H22N4O3 — CID 50811214

IUPACN-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2c(=O)c3c(C)cc(C)nc3n(C)c2=O)c1
InChIInChI=1S/C20H22N4O3/c1-11-7-6-8-15(9-11)22-18(25)14(4)24-19(26)16-12(2)10-13(3)21-17(16)23(5)20(24)27/h6-10,14H,1-5H3,(H,22,25)
InChIKeyQNSDUKFCEYRODV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.22
Rot. Bonds3

About N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide

N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 50811214) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID50811214
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2c(=O)c3c(C)cc(C)nc3n(C)c2=O)c1
InChIInChI=1S/C20H22N4O3/c1-11-7-6-8-15(9-11)22-18(25)14(4)24-19(26)16-12(2)10-13(3)21-17(16)23(5)20(24)27/h6-10,14H,1-5H3,(H,22,25)
InChIKeyQNSDUKFCEYRODV-UHFFFAOYSA-N
XLogP2.22
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide (CID 50811214) is N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide is Cc1cccc(NC(=O)C(C)n2c(=O)c3c(C)cc(C)nc3n(C)c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is QNSDUKFCEYRODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-11-7-6-8-15(9-11)22-18(25)14(4)24-19(26)16-12(2)10-13(3)21-17(16)23(5)20(24)27/h6-10,14H,1-5H3,(H,22,25).
What are the key properties of N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide?
N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 50811214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).