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

C17H24N4O4 — CID 56899017

IUPAC1-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C17H24N4O4/c1-2-7-21-13-5-8-19(10-12(13)3-4-15(21)23)16(24)11-20-9-6-14(22)18-17(20)25/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,22,25)/t12-,13+/m0/s1
InChIKeyBUJBUOCZKHVPTI-QWHCGFSZSA-N
MW348.40 g/mol
LogP-0.21
Rot. Bonds4

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

1-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 56899017) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-[(4aS,8aR)-2-oxo-1-propyl-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)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID56899017
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name1-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc(=O)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C17H24N4O4/c1-2-7-21-13-5-8-19(10-12(13)3-4-15(21)23)16(24)11-20-9-6-14(22)18-17(20)25/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,22,25)/t12-,13+/m0/s1
InChIKeyBUJBUOCZKHVPTI-QWHCGFSZSA-N
XLogP-0.21
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4aS,8aR)-2-oxo-1-propyl-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)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 56899017) is 1-[2-[(4aS,8aR)-2-oxo-1-propyl-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)-2-oxo-1-propyl-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)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione is CCCN1C(=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)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is BUJBUOCZKHVPTI-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-2-7-21-13-5-8-19(10-12(13)3-4-15(21)23)16(24)11-20-9-6-14(22)18-17(20)25/h6,9,12-13H,2-5,7-8,10-11H2,1H3,(H,18,22,25)/t12-,13+/m0/s1.
What are the key properties of 1-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4aS,8aR)-2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56899017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).