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

C17H24N4O4 — CID 56903983

IUPAC5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C17H24N4O4/c1-2-6-21-13-5-7-20(10-11(13)3-4-14(21)22)15(23)8-12-9-18-17(25)19-16(12)24/h9,11,13H,2-8,10H2,1H3,(H2,18,19,24,25)/t11-,13+/m0/s1
InChIKeyHQRSRCSXILNYEJ-WCQYABFASA-N
MW348.40 g/mol
LogP-0.14
Rot. Bonds4

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

5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56903983) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID56903983
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C17H24N4O4/c1-2-6-21-13-5-7-20(10-11(13)3-4-14(21)22)15(23)8-12-9-18-17(25)19-16(12)24/h9,11,13H,2-8,10H2,1H3,(H2,18,19,24,25)/t11-,13+/m0/s1
InChIKeyHQRSRCSXILNYEJ-WCQYABFASA-N
XLogP-0.14
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 56903983) is 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CCCN1C(=O)CC[C@H]2CN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC[C@H]21.
What is the InChIKey of 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HQRSRCSXILNYEJ-WCQYABFASA-N. The full InChI is InChI=1S/C17H24N4O4/c1-2-6-21-13-5-7-20(10-11(13)3-4-14(21)22)15(23)8-12-9-18-17(25)19-16(12)24/h9,11,13H,2-8,10H2,1H3,(H2,18,19,24,25)/t11-,13+/m0/s1.
What are the key properties of 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56903983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).