5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide

C19H21N3O2 — CID 55975069

IUPAC5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2OCC(C)C)ccc1C#N
InChIInChI=1S/C19H21N3O2/c1-13(2)12-24-18-7-5-4-6-16(18)11-21-19(23)17-9-8-15(10-20)14(3)22-17/h4-9,13H,11-12H2,1-3H3,(H,21,23)
InChIKeyKVVJNFTWYMBIFB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds6

About 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide

5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 55975069) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide
PubChem CID55975069
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2OCC(C)C)ccc1C#N
InChIInChI=1S/C19H21N3O2/c1-13(2)12-24-18-7-5-4-6-16(18)11-21-19(23)17-9-8-15(10-20)14(3)22-17/h4-9,13H,11-12H2,1-3H3,(H,21,23)
InChIKeyKVVJNFTWYMBIFB-UHFFFAOYSA-N
XLogP3.23
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
CID 9543521
4-amino-5-cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
CID 11846459
4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide
CID 11846461
6-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
CID 44434931
N-[(2-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 485056
(E)-2-cyano-3-(2-propoxyphenyl)-N-pyridin-3-ylprop-2-enamide
CID 1969673
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide (CID 55975069) is 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide is Cc1nc(C(=O)NCc2ccccc2OCC(C)C)ccc1C#N.
What is the InChIKey of 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is KVVJNFTWYMBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)12-24-18-7-5-4-6-16(18)11-21-19(23)17-9-8-15(10-20)14(3)22-17/h4-9,13H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide?
5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55975069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).