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

C17H18N4O2 — CID 71968822

IUPAC5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide
SMILESCOCCNc1ccccc1CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C17H18N4O2/c1-23-9-8-19-15-5-3-2-4-14(15)12-21-17(22)16-7-6-13(10-18)11-20-16/h2-7,11,19H,8-9,12H2,1H3,(H,21,22)
InChIKeyAYSUHRWTIQMCAO-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.94
Rot. Bonds7

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

5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 71968822) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide
PubChem CID71968822
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide
SMILESCOCCNc1ccccc1CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C17H18N4O2/c1-23-9-8-19-15-5-3-2-4-14(15)12-21-17(22)16-7-6-13(10-18)11-20-16/h2-7,11,19H,8-9,12H2,1H3,(H,21,22)
InChIKeyAYSUHRWTIQMCAO-UHFFFAOYSA-N
XLogP1.94
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 63723902
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120704967
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
CID 97068849
1-[(2R)-3,3-dimethylbutan-2-yl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
CID 97068850
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide (CID 71968822) is 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide is COCCNc1ccccc1CNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is AYSUHRWTIQMCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-9-8-19-15-5-3-2-4-14(15)12-21-17(22)16-7-6-13(10-18)11-20-16/h2-7,11,19H,8-9,12H2,1H3,(H,21,22).
What are the key properties of 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide?
5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71968822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).