N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

C20H30N4O4 — CID 20864017

IUPACN-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCCOC(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H30N4O4/c1-12(2)28-11-7-10-21-16(25)9-8-15-13(3)17-18(22-14(15)4)23(5)20(27)24(6)19(17)26/h12H,7-11H2,1-6H3,(H,21,25)
InChIKeyIMSMPMWZWPFLGV-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.11
Rot. Bonds8

About N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (PubChem CID 20864017) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
PubChem CID20864017
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCCCOC(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H30N4O4/c1-12(2)28-11-7-10-21-16(25)9-8-15-13(3)17-18(22-14(15)4)23(5)20(27)24(6)19(17)26/h12H,7-11H2,1-6H3,(H,21,25)
InChIKeyIMSMPMWZWPFLGV-UHFFFAOYSA-N
XLogP1.11
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (CID 20864017) is N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is Cc1nc2c(c(C)c1CCC(=O)NCCCOC(C)C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is IMSMPMWZWPFLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-12(2)28-11-7-10-21-16(25)9-8-15-13(3)17-18(22-14(15)4)23(5)20(27)24(6)19(17)26/h12H,7-11H2,1-6H3,(H,21,25).
What are the key properties of N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 390.48 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20864017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).