2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide

C18H17N3O — CID 5078908

IUPAC2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C18H17N3O/c1-12(2)18(22)21-17-14-8-4-3-7-13(14)11-16(20-17)15-9-5-6-10-19-15/h3-12H,1-2H3,(H,20,21,22)
InChIKeyMMCKTCYZCHRPQJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.89
Rot. Bonds3

About 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide

2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide (PubChem CID 5078908) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide
PubChem CID5078908
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C18H17N3O/c1-12(2)18(22)21-17-14-8-4-3-7-13(14)11-16(20-17)15-9-5-6-10-19-15/h3-12H,1-2H3,(H,20,21,22)
InChIKeyMMCKTCYZCHRPQJ-UHFFFAOYSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Wnt-974
CID 46926973
Las-101057
CID 16071896
Isoquinoline, 1-amino-3-(2-pyridyl)-
CID 217000
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
1-[2-Amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328117
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-[2-Amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329118
1-[2-Amino-6-(2,3-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329120
Indole naphthyridinone 21
CID 6539896
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide (CID 5078908) is 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide is CC(C)C(=O)Nc1nc(-c2ccccn2)cc2ccccc12.
What is the InChIKey of 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
The InChIKey is MMCKTCYZCHRPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12(2)18(22)21-17-14-8-4-3-7-13(14)11-16(20-17)15-9-5-6-10-19-15/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide?
2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyridin-2-ylisoquinolin-1-yl)propanamide is sourced from PubChem (CID 5078908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).