(4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C19H35N3O — CID 26347871

IUPAC(4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCN(C)CCCN1C(=O)CC[C@@H]2CN(C3CCCCC3)CC[C@@H]21
InChIInChI=1S/C19H35N3O/c1-20(2)12-6-13-22-18-11-14-21(17-7-4-3-5-8-17)15-16(18)9-10-19(22)23/h16-18H,3-15H2,1-2H3/t16-,18+/m1/s1
InChIKeyRWQPHTCBELYUPO-AEFFLSMTSA-N
MW321.51 g/mol
LogP2.58
Rot. Bonds5

About (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 26347871) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID26347871
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name(4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCN(C)CCCN1C(=O)CC[C@@H]2CN(C3CCCCC3)CC[C@@H]21
InChIInChI=1S/C19H35N3O/c1-20(2)12-6-13-22-18-11-14-21(17-7-4-3-5-8-17)15-16(18)9-10-19(22)23/h16-18H,3-15H2,1-2H3/t16-,18+/m1/s1
InChIKeyRWQPHTCBELYUPO-AEFFLSMTSA-N
XLogP2.58
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 26347871) is (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CN(C)CCCN1C(=O)CC[C@@H]2CN(C3CCCCC3)CC[C@@H]21.
What is the InChIKey of (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is RWQPHTCBELYUPO-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H35N3O/c1-20(2)12-6-13-22-18-11-14-21(17-7-4-3-5-8-17)15-16(18)9-10-19(22)23/h16-18H,3-15H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 321.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-cyclohexyl-1-[3-(dimethylamino)propyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26347871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).