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

C19H28N4O4 — CID 70771258

IUPAC1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C)CCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C19H28N4O4/c1-13(2)5-10-23-15-6-8-21(11-14(15)3-4-17(23)25)18(26)12-22-9-7-16(24)20-19(22)27/h7,9,13-15H,3-6,8,10-12H2,1-2H3,(H,20,24,27)/t14-,15+/m0/s1
InChIKeyHYZGWDPRJQVOBN-LSDHHAIUSA-N
MW376.46 g/mol
LogP0.42
Rot. Bonds5

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

1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 70771258) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID70771258
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C)CCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C19H28N4O4/c1-13(2)5-10-23-15-6-8-21(11-14(15)3-4-17(23)25)18(26)12-22-9-7-16(24)20-19(22)27/h7,9,13-15H,3-6,8,10-12H2,1-2H3,(H,20,24,27)/t14-,15+/m0/s1
InChIKeyHYZGWDPRJQVOBN-LSDHHAIUSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 70771258) is 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione is CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21.
What is the InChIKey of 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is HYZGWDPRJQVOBN-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13(2)5-10-23-15-6-8-21(11-14(15)3-4-17(23)25)18(26)12-22-9-7-16(24)20-19(22)27/h7,9,13-15H,3-6,8,10-12H2,1-2H3,(H,20,24,27)/t14-,15+/m0/s1.
What are the key properties of 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70771258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).