(4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide

C17H27N5O4 — CID 133127433

IUPAC(4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCOc1cc(OC)nc(N2CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C2)n1
InChIInChI=1S/C17H27N5O4/c1-20(2)16(23)22-8-6-17(24)5-7-21(10-12(17)11-22)15-18-13(25-3)9-14(19-15)26-4/h9,12,24H,5-8,10-11H2,1-4H3/t12-,17-/m0/s1
InChIKeyAPJRFBNVODXBDB-SJCJKPOMSA-N
MW365.43 g/mol
LogP0.44
Rot. Bonds3

About (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide

(4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 133127433) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name(4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID133127433
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC Name(4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCOc1cc(OC)nc(N2CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C2)n1
InChIInChI=1S/C17H27N5O4/c1-20(2)16(23)22-8-6-17(24)5-7-21(10-12(17)11-22)15-18-13(25-3)9-14(19-15)26-4/h9,12,24H,5-8,10-11H2,1-4H3/t12-,17-/m0/s1
InChIKeyAPJRFBNVODXBDB-SJCJKPOMSA-N
XLogP0.44
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide with MolForge

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Related Compounds

(4aR,8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
CID 72923300
(4aS,8aS)-7-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
CID 133117375
4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 81103991
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 171324316
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
(4aS,8aS)-4a-hydroxy-N,N-dimethyl-7-(4-phenylmethoxybutyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
CID 133137868
(4aR,8aR)-4a-hydroxy-N,N-dimethyl-7-(2-pyridin-2-ylsulfanylacetyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
CID 72933479
(4aR,8aR)-4a-hydroxy-N,N-dimethyl-7-(3-pyridin-3-ylpropanoyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide
CID 72878418
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
2-[(1S,5R)-3-(4,6-dimethoxypyrimidin-2-yl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N,N-dimethylacetamide
CID 70783249
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115354743
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol
CID 115355462

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide (CID 133127433) is (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide is COc1cc(OC)nc(N2CC[C@]3(O)CCN(C(=O)N(C)C)C[C@@H]3C2)n1.
What is the InChIKey of (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is APJRFBNVODXBDB-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H27N5O4/c1-20(2)16(23)22-8-6-17(24)5-7-21(10-12(17)11-22)15-18-13(25-3)9-14(19-15)26-4/h9,12,24H,5-8,10-11H2,1-4H3/t12-,17-/m0/s1.
What are the key properties of (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide?
(4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-7-(4,6-dimethoxypyrimidin-2-yl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 133127433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).