1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide

C27H28N2O2 — CID 10070281

IUPAC1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccccc23)CC1
InChIInChI=1S/C27H28N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-10,18,26H,11-17H2,(H2,28,30)
InChIKeyJNYHVVZVSHDECL-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.73
Rot. Bonds5

About 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide

1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide (PubChem CID 10070281) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide.

Molecular Properties

Compound Name1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
PubChem CID10070281
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccccc23)CC1
InChIInChI=1S/C27H28N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-10,18,26H,11-17H2,(H2,28,30)
InChIKeyJNYHVVZVSHDECL-UHFFFAOYSA-N
XLogP4.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
The IUPAC name of 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide (CID 10070281) is 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide.
What is the SMILES notation for 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
The canonical SMILES for 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide is NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2cccc3ccccc23)CC1.
What is the InChIKey of 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
The InChIKey is JNYHVVZVSHDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c28-27(30)22-8-9-25-21(18-22)13-17-31-26(25)12-16-29-14-10-20(11-15-29)24-7-3-5-19-4-1-2-6-23(19)24/h1-10,18,26H,11-17H2,(H2,28,30).
What are the key properties of 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide?
1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide is sourced from PubChem (CID 10070281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).