2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide

C21H26N2O2 — CID 3765426

IUPAC2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide
SMILESCOc1cc(C)c2c(c1C)CC(C(C)C(=O)Nc1ccccn1)CC2
InChIInChI=1S/C21H26N2O2/c1-13-11-19(25-4)15(3)18-12-16(8-9-17(13)18)14(2)21(24)23-20-7-5-6-10-22-20/h5-7,10-11,14,16H,8-9,12H2,1-4H3,(H,22,23,24)
InChIKeyAXPSYSNPKBQUGG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.09
Rot. Bonds4

About 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide

2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 3765426) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide
PubChem CID3765426
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide
SMILESCOc1cc(C)c2c(c1C)CC(C(C)C(=O)Nc1ccccn1)CC2
InChIInChI=1S/C21H26N2O2/c1-13-11-19(25-4)15(3)18-12-16(8-9-17(13)18)14(2)21(24)23-20-7-5-6-10-22-20/h5-7,10-11,14,16H,8-9,12H2,1-4H3,(H,22,23,24)
InChIKeyAXPSYSNPKBQUGG-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide (CID 3765426) is 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide is COc1cc(C)c2c(c1C)CC(C(C)C(=O)Nc1ccccn1)CC2.
What is the InChIKey of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is AXPSYSNPKBQUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-11-19(25-4)15(3)18-12-16(8-9-17(13)18)14(2)21(24)23-20-7-5-6-10-22-20/h5-7,10-11,14,16H,8-9,12H2,1-4H3,(H,22,23,24).
What are the key properties of 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide?
2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 3765426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).