N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C19H23N3O — CID 72890842

IUPACN,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1Cc2ccccc2CN1C
InChIInChI=1S/C19H23N3O/c1-21(12-10-17-9-5-6-11-20-17)19(23)18-13-15-7-3-4-8-16(15)14-22(18)2/h3-9,11,18H,10,12-14H2,1-2H3
InChIKeyQXZJDJDWNFTJLQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.14
Rot. Bonds4

About N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 72890842) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID72890842
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1Cc2ccccc2CN1C
InChIInChI=1S/C19H23N3O/c1-21(12-10-17-9-5-6-11-20-17)19(23)18-13-15-7-3-4-8-16(15)14-22(18)2/h3-9,11,18H,10,12-14H2,1-2H3
InChIKeyQXZJDJDWNFTJLQ-UHFFFAOYSA-N
XLogP2.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 72890842) is N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is CN(CCc1ccccn1)C(=O)C1Cc2ccccc2CN1C.
What is the InChIKey of N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is QXZJDJDWNFTJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(12-10-17-9-5-6-11-20-17)19(23)18-13-15-7-3-4-8-16(15)14-22(18)2/h3-9,11,18H,10,12-14H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 72890842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).