2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide

C19H17N3O2 — CID 175651029

IUPAC2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccncc3)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C19H17N3O2/c1-12-2-3-13-11-17(18(23)21-14-6-8-20-9-7-14)22(15-4-5-15)19(24)16(13)10-12/h2-3,6-11,15H,4-5H2,1H3,(H,20,21,23)
InChIKeyLCAIGPZRQMULJU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.29
Rot. Bonds3

About 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide

2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide (PubChem CID 175651029) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide
PubChem CID175651029
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccncc3)n(C3CC3)c(=O)c2c1
InChIInChI=1S/C19H17N3O2/c1-12-2-3-13-11-17(18(23)21-14-6-8-20-9-7-14)22(15-4-5-15)19(24)16(13)10-12/h2-3,6-11,15H,4-5H2,1H3,(H,20,21,23)
InChIKeyLCAIGPZRQMULJU-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide?
The IUPAC name of 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide (CID 175651029) is 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide is Cc1ccc2cc(C(=O)Nc3ccncc3)n(C3CC3)c(=O)c2c1.
What is the InChIKey of 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide?
The InChIKey is LCAIGPZRQMULJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-2-3-13-11-17(18(23)21-14-6-8-20-9-7-14)22(15-4-5-15)19(24)16(13)10-12/h2-3,6-11,15H,4-5H2,1H3,(H,20,21,23).
What are the key properties of 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide?
2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methyl-1-oxo-N-pyridin-4-ylisoquinoline-3-carboxamide is sourced from PubChem (CID 175651029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).