N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide

C19H19N3O3 — CID 146626711

IUPACN-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCO[C@H](C)COc1nccc2cc(NC(=O)c3ccccn3)ccc12
InChIInChI=1S/C19H19N3O3/c1-13(24-2)12-25-19-16-7-6-15(11-14(16)8-10-21-19)22-18(23)17-5-3-4-9-20-17/h3-11,13H,12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyKOHKXGQFANGGKX-CYBMUJFWSA-N
MW337.38 g/mol
LogP3.30
Rot. Bonds6

About N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide

N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 146626711) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID146626711
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCO[C@H](C)COc1nccc2cc(NC(=O)c3ccccn3)ccc12
InChIInChI=1S/C19H19N3O3/c1-13(24-2)12-25-19-16-7-6-15(11-14(16)8-10-21-19)22-18(23)17-5-3-4-9-20-17/h3-11,13H,12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyKOHKXGQFANGGKX-CYBMUJFWSA-N
XLogP3.30
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626709
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
CID 158497148
5-hydroxy-N-[1-(pyridin-3-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146630092
N-[3-(1-aminoethyl)phenyl]pyridine-2-carboxamide
CID 16785087
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 141478642
2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
CID 54055082
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
CID 43507728
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(9H-carbazol-2-yl)pyridine-2-carboxamide
CID 66605805

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide (CID 146626711) is N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide is CO[C@H](C)COc1nccc2cc(NC(=O)c3ccccn3)ccc12.
What is the InChIKey of N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is KOHKXGQFANGGKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(24-2)12-25-19-16-7-6-15(11-14(16)8-10-21-19)22-18(23)17-5-3-4-9-20-17/h3-11,13H,12H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146626711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).