N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide

C11H13N3O2 — CID 60966818

IUPACN-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)(C)C#N
InChIInChI=1S/C11H13N3O2/c1-11(2,7-12)14-9(15)8-5-4-6-13-10(8)16-3/h4-6H,1-3H3,(H,14,15)
InChIKeyFPQMJDRLYCKQFL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.12
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide

N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 60966818) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
PubChem CID60966818
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)(C)C#N
InChIInChI=1S/C11H13N3O2/c1-11(2,7-12)14-9(15)8-5-4-6-13-10(8)16-3/h4-6H,1-3H3,(H,14,15)
InChIKeyFPQMJDRLYCKQFL-UHFFFAOYSA-N
XLogP1.12
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
CID 103755271
2-methoxy-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82724055
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(3-bromo-2,2-dimethylpropyl)-2-methoxypyridine-3-carboxamide
CID 115364804
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
CID 63284776
N-(2-cyanopropan-2-yl)-2-ethoxybenzamide
CID 54904382
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
N-(5-cyano-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 62060853
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
CID 103940867

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide (CID 60966818) is N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is FPQMJDRLYCKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,7-12)14-9(15)8-5-4-6-13-10(8)16-3/h4-6H,1-3H3,(H,14,15).
What are the key properties of N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide?
N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 60966818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).