(4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C19H26N4O3 — CID 56885417

IUPAC(4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C19H26N4O3/c1-2-8-23-15-7-9-22(11-13(15)5-6-16(23)24)19(26)14-10-20-17(12-3-4-12)21-18(14)25/h10,12-13,15H,2-9,11H2,1H3,(H,20,21,25)/t13-,15+/m0/s1
InChIKeyWZQLNYZAYRZBDS-DZGCQCFKSA-N
MW358.44 g/mol
LogP1.51
Rot. Bonds4

About (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 56885417) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID56885417
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC[C@H]21
InChIInChI=1S/C19H26N4O3/c1-2-8-23-15-7-9-22(11-13(15)5-6-16(23)24)19(26)14-10-20-17(12-3-4-12)21-18(14)25/h10,12-13,15H,2-9,11H2,1H3,(H,20,21,25)/t13-,15+/m0/s1
InChIKeyWZQLNYZAYRZBDS-DZGCQCFKSA-N
XLogP1.51
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one 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 (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 56885417) is (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC[C@H]21.
What is the InChIKey of (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is WZQLNYZAYRZBDS-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-8-23-15-7-9-22(11-13(15)5-6-16(23)24)19(26)14-10-20-17(12-3-4-12)21-18(14)25/h10,12-13,15H,2-9,11H2,1H3,(H,20,21,25)/t13-,15+/m0/s1.
What are the key properties of (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 358.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-6-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 56885417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).