N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide

C23H19N3O2 — CID 171492136

IUPACN-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2ccc3cnccc3c2)ccc1C
InChIInChI=1S/C23H19N3O2/c1-15-7-10-21(25-22(15)19-5-3-4-6-20(19)28-2)26-23(27)17-8-9-18-14-24-12-11-16(18)13-17/h3-14H,1-2H3,(H,25,26,27)
InChIKeyQJQHOZKGLDDUON-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.87
Rot. Bonds4

About N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide

N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide (PubChem CID 171492136) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
PubChem CID171492136
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2ccc3cnccc3c2)ccc1C
InChIInChI=1S/C23H19N3O2/c1-15-7-10-21(25-22(15)19-5-3-4-6-20(19)28-2)26-23(27)17-8-9-18-14-24-12-11-16(18)13-17/h3-14H,1-2H3,(H,25,26,27)
InChIKeyQJQHOZKGLDDUON-UHFFFAOYSA-N
XLogP4.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-6-(6-methyl-7-oxothieno[2,3-c]pyridin-4-yl)-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492105
N-[5-methyl-6-(5-methyl-4-oxo-3H-imidazo[4,5-c]pyridin-7-yl)-2-pyridinyl]isoquinoline-6-carboxamide
CID 171491985
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-[6-[(cyclohexylamino)-phenylmethyl]-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492093
N-[5-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492120
N-[5-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propyl]-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492102
2-(2-methoxyphenyl)-1,6-naphthyridine-3-carboxylic acid
CID 155342375
N-(2-fluorophenyl)isoquinoline-6-carboxamide
CID 110485150
N-(2-methoxy-6-methylphenyl)naphthalene-2-carboxamide
CID 146497202
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide (CID 171492136) is N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide is COc1ccccc1-c1nc(NC(=O)c2ccc3cnccc3c2)ccc1C.
What is the InChIKey of N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide?
The InChIKey is QJQHOZKGLDDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-7-10-21(25-22(15)19-5-3-4-6-20(19)28-2)26-23(27)17-8-9-18-14-24-12-11-16(18)13-17/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide?
N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 171492136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).