5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

C19H28N4O4 — CID 70774447

IUPAC5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC[C@H]21
InChIInChI=1S/C19H28N4O4/c1-3-4-8-23-15-7-9-22(12-13(15)5-6-16(23)24)17(25)10-14-11-20-19(27)21(2)18(14)26/h11,13,15H,3-10,12H2,1-2H3,(H,20,27)/t13-,15+/m0/s1
InChIKeyBEANDMOYXOARMY-DZGCQCFKSA-N
MW376.46 g/mol
LogP0.26
Rot. Bonds5

About 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 70774447) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID70774447
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC[C@H]21
InChIInChI=1S/C19H28N4O4/c1-3-4-8-23-15-7-9-22(12-13(15)5-6-16(23)24)17(25)10-14-11-20-19(27)21(2)18(14)26/h11,13,15H,3-10,12H2,1-2H3,(H,20,27)/t13-,15+/m0/s1
InChIKeyBEANDMOYXOARMY-DZGCQCFKSA-N
XLogP0.26
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 70774447) is 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is CCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC[C@H]21.
What is the InChIKey of 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BEANDMOYXOARMY-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-3-4-8-23-15-7-9-22(12-13(15)5-6-16(23)24)17(25)10-14-11-20-19(27)21(2)18(14)26/h11,13,15H,3-10,12H2,1-2H3,(H,20,27)/t13-,15+/m0/s1.
What are the key properties of 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4aS,8aR)-1-butyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70774447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).