N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

C25H27N3O2 — CID 70665370

IUPACN,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESCc1ccnc(COc2ccc(C(=O)N(C)C)cc2-c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C25H27N3O2/c1-17-8-11-27-22(12-17)16-30-24-7-6-20(25(29)28(2)3)14-23(24)19-5-4-18-9-10-26-15-21(18)13-19/h4-8,11-14,26H,9-10,15-16H2,1-3H3
InChIKeyBDIGSXFGVJGSFS-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.98
Rot. Bonds5

About N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 70665370) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID70665370
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESCc1ccnc(COc2ccc(C(=O)N(C)C)cc2-c2ccc3c(c2)CNCC3)c1
InChIInChI=1S/C25H27N3O2/c1-17-8-11-27-22(12-17)16-30-24-7-6-20(25(29)28(2)3)14-23(24)19-5-4-18-9-10-26-15-21(18)13-19/h4-8,11-14,26H,9-10,15-16H2,1-3H3
InChIKeyBDIGSXFGVJGSFS-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 70665370) is N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is Cc1ccnc(COc2ccc(C(=O)N(C)C)cc2-c2ccc3c(c2)CNCC3)c1.
What is the InChIKey of N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is BDIGSXFGVJGSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-8-11-27-22(12-17)16-30-24-7-6-20(25(29)28(2)3)14-23(24)19-5-4-18-9-10-26-15-21(18)13-19/h4-8,11-14,26H,9-10,15-16H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 70665370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).