6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide

C16H13N3O — CID 59268970

IUPAC6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc3cnccc23)nc1
InChIInChI=1S/C16H13N3O/c1-17-16(20)12-5-6-15(19-10-12)14-4-2-3-11-9-18-8-7-13(11)14/h2-10H,1H3,(H,17,20)
InChIKeyWYIYWCBYZSILQJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.66
Rot. Bonds2

About 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide

6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide (PubChem CID 59268970) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide
PubChem CID59268970
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc3cnccc23)nc1
InChIInChI=1S/C16H13N3O/c1-17-16(20)12-5-6-15(19-10-12)14-4-2-3-11-9-18-8-7-13(11)14/h2-10H,1H3,(H,17,20)
InChIKeyWYIYWCBYZSILQJ-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-isoquinolin-5-ylpyridin-3-ol
CID 83128969
(6-naphthalen-1-yl-3-pyridinyl)-phenylmethanone
CID 148605660
N-methylpyridine-3-carboxamide chloride
CID 20976730
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
N-methyl-2-pyrimidin-4-ylbenzamide
CID 68804434
2-isoquinolin-5-ylbenzamide
CID 39817654
4-(isoquinolin-5-ylamino)benzoic acid
CID 62232370
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
6-iodo-N-methylpyridine-3-carboxamide
CID 122468832

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide (CID 59268970) is 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2cccc3cnccc23)nc1.
What is the InChIKey of 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide?
The InChIKey is WYIYWCBYZSILQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-17-16(20)12-5-6-15(19-10-12)14-4-2-3-11-9-18-8-7-13(11)14/h2-10H,1H3,(H,17,20).
What are the key properties of 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide?
6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 59268970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).