(4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C16H24N4O2 — CID 56914203

IUPAC(4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3ncc[nH]3)CC[C@H]21
InChIInChI=1S/C16H24N4O2/c1-11(2)9-20-13-5-8-19(10-12(13)3-4-14(20)21)16(22)15-17-6-7-18-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyHXUZGQDHZMWUCC-QWHCGFSZSA-N
MW304.39 g/mol
LogP1.52
Rot. Bonds3

About (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 56914203) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID56914203
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3ncc[nH]3)CC[C@H]21
InChIInChI=1S/C16H24N4O2/c1-11(2)9-20-13-5-8-19(10-12(13)3-4-14(20)21)16(22)15-17-6-7-18-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyHXUZGQDHZMWUCC-QWHCGFSZSA-N
XLogP1.52
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-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-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 56914203) is (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3ncc[nH]3)CC[C@H]21.
What is the InChIKey of (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is HXUZGQDHZMWUCC-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)9-20-13-5-8-19(10-12(13)3-4-14(20)21)16(22)15-17-6-7-18-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-6-(1H-imidazole-2-carbonyl)-1-(2-methylpropyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 56914203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).