6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide

C18H17N3O2 — CID 70722014

IUPAC6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cccc2cnccc12)C(=O)c1cccc(CO)n1
InChIInChI=1S/C18H17N3O2/c1-21(18(23)17-7-3-6-15(12-22)20-17)11-14-5-2-4-13-10-19-9-8-16(13)14/h2-10,22H,11-12H2,1H3
InChIKeyIGTRQIMMPFBJSF-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.39
Rot. Bonds4

About 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide

6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 70722014) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID70722014
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cccc2cnccc12)C(=O)c1cccc(CO)n1
InChIInChI=1S/C18H17N3O2/c1-21(18(23)17-7-3-6-15(12-22)20-17)11-14-5-2-4-13-10-19-9-8-16(13)14/h2-10,22H,11-12H2,1H3
InChIKeyIGTRQIMMPFBJSF-UHFFFAOYSA-N
XLogP2.39
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56879074
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 56744886
N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
N-(isoquinolin-5-ylmethyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 70721639
6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59410646
2-isoquinolin-5-ylacetamide
CID 68785768
N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
CID 131936529
(3S)-3-[[isoquinolin-5-ylmethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 126450614
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 24817545
(2S)-2-[4-(dimethylcarbamoyl)phenyl]-2-[isoquinolin-5-ylmethyl(methyl)amino]acetic acid
CID 97193338
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70747961

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide (CID 70722014) is 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide is CN(Cc1cccc2cnccc12)C(=O)c1cccc(CO)n1.
What is the InChIKey of 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is IGTRQIMMPFBJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(18(23)17-7-3-6-15(12-22)20-17)11-14-5-2-4-13-10-19-9-8-16(13)14/h2-10,22H,11-12H2,1H3.
What are the key properties of 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide?
6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 70722014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).