3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide

C19H19N3O4 — CID 146626702

IUPAC3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCO[C@@H](C)COc1nccc2cc(NC(=O)c3ncccc3O)ccc12
InChIInChI=1S/C19H19N3O4/c1-12(25-2)11-26-19-15-6-5-14(10-13(15)7-9-21-19)22-18(24)17-16(23)4-3-8-20-17/h3-10,12,23H,11H2,1-2H3,(H,22,24)/t12-/m0/s1
InChIKeyMYTLVNWPIUXFQS-LBPRGKRZSA-N
MW353.38 g/mol
LogP3.00
Rot. Bonds6

About 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide

3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626702) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626702
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCO[C@@H](C)COc1nccc2cc(NC(=O)c3ncccc3O)ccc12
InChIInChI=1S/C19H19N3O4/c1-12(25-2)11-26-19-15-6-5-14(10-13(15)7-9-21-19)22-18(24)17-16(23)4-3-8-20-17/h3-10,12,23H,11H2,1-2H3,(H,22,24)/t12-/m0/s1
InChIKeyMYTLVNWPIUXFQS-LBPRGKRZSA-N
XLogP3.00
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide (CID 146626702) is 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide is CO[C@@H](C)COc1nccc2cc(NC(=O)c3ncccc3O)ccc12.
What is the InChIKey of 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is MYTLVNWPIUXFQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(25-2)11-26-19-15-6-5-14(10-13(15)7-9-21-19)22-18(24)17-16(23)4-3-8-20-17/h3-10,12,23H,11H2,1-2H3,(H,22,24)/t12-/m0/s1.
What are the key properties of 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[(2S)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).