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

C19H26N4O4 — CID 20864007

IUPACN-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCC1CCCO1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H26N4O4/c1-11-14(7-8-15(24)20-10-13-6-5-9-27-13)12(2)21-17-16(11)18(25)23(4)19(26)22(17)3/h13H,5-10H2,1-4H3,(H,20,24)
InChIKeyCYWKQCJIZPCZFB-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.48
Rot. Bonds5

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

N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (PubChem CID 20864007) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
PubChem CID20864007
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1nc2c(c(C)c1CCC(=O)NCC1CCCO1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H26N4O4/c1-11-14(7-8-15(24)20-10-13-6-5-9-27-13)12(2)21-17-16(11)18(25)23(4)19(26)22(17)3/h13H,5-10H2,1-4H3,(H,20,24)
InChIKeyCYWKQCJIZPCZFB-UHFFFAOYSA-N
XLogP0.48
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (CID 20864007) is N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is Cc1nc2c(c(C)c1CCC(=O)NCC1CCCO1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is CYWKQCJIZPCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-11-14(7-8-15(24)20-10-13-6-5-9-27-13)12(2)21-17-16(11)18(25)23(4)19(26)22(17)3/h13H,5-10H2,1-4H3,(H,20,24).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20864007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).