N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide

C17H25N5O3 — CID 118739306

IUPACN-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C17H25N5O3/c1-11-13-8-25-10-17(15(13)20-16(19-11)21(3)4)5-6-22(9-17)14(24)7-18-12(2)23/h5-10H2,1-4H3,(H,18,23)
InChIKeyRSFCTWAJUUHILY-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.01
Rot. Bonds3

About N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide

N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide (PubChem CID 118739306) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide
PubChem CID118739306
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1
InChIInChI=1S/C17H25N5O3/c1-11-13-8-25-10-17(15(13)20-16(19-11)21(3)4)5-6-22(9-17)14(24)7-18-12(2)23/h5-10H2,1-4H3,(H,18,23)
InChIKeyRSFCTWAJUUHILY-UHFFFAOYSA-N
XLogP-0.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide (CID 118739306) is N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC2(COCc3c(C)nc(N(C)C)nc32)C1.
What is the InChIKey of N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide?
The InChIKey is RSFCTWAJUUHILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-13-8-25-10-17(15(13)20-16(19-11)21(3)4)5-6-22(9-17)14(24)7-18-12(2)23/h5-10H2,1-4H3,(H,18,23).
What are the key properties of N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide?
N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-4-methylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 118739306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).