N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide

C19H19N3O2 — CID 74230073

IUPACN-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide
SMILESCCC(c1cccnc1)N(C)C(=O)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-3-17(13-7-6-10-20-11-13)22(2)19(24)16-12-21-18(23)15-9-5-4-8-14(15)16/h4-12,17H,3H2,1-2H3,(H,21,23)
InChIKeyMOBYJMLHMVHZRX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.15
Rot. Bonds4

About N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide

N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide (PubChem CID 74230073) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide
PubChem CID74230073
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide
SMILESCCC(c1cccnc1)N(C)C(=O)c1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-3-17(13-7-6-10-20-11-13)22(2)19(24)16-12-21-18(23)15-9-5-4-8-14(15)16/h4-12,17H,3H2,1-2H3,(H,21,23)
InChIKeyMOBYJMLHMVHZRX-UHFFFAOYSA-N
XLogP3.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide
CID 97115377
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
CID 77084067
N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
CID 97113366
3-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-[(1R)-1-pyridin-3-ylpropyl]benzamide
CID 125155931
3-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-1-[(1R)-1-pyridin-3-ylpropyl]urea
CID 126434780
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
CID 100674309
1-amino-N-methyl-N-(1-pyridin-3-ylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 154912060
N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[(1R)-1-pyridin-3-ylpropyl]acetamide
CID 126454196
N-[1-(4-fluorophenyl)propyl]-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 46977355
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
CID 118763854

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide?
The IUPAC name of N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide (CID 74230073) is N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide?
The canonical SMILES for N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide is CCC(c1cccnc1)N(C)C(=O)c1c[nH]c(=O)c2ccccc12.
What is the InChIKey of N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide?
The InChIKey is MOBYJMLHMVHZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-17(13-7-6-10-20-11-13)22(2)19(24)16-12-21-18(23)15-9-5-4-8-14(15)16/h4-12,17H,3H2,1-2H3,(H,21,23).
What are the key properties of N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide?
N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 74230073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).