N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide

C13H18N4O2 — CID 63286998

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)N(CCC#N)CCOC)cn1
InChIInChI=1S/C13H18N4O2/c1-15-12-5-4-11(10-16-12)13(18)17(7-3-6-14)8-9-19-2/h4-5,10H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyBDPDSTSKPAEQAS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.13
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 63286998) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID63286998
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)N(CCC#N)CCOC)cn1
InChIInChI=1S/C13H18N4O2/c1-15-12-5-4-11(10-16-12)13(18)17(7-3-6-14)8-9-19-2/h4-5,10H,3,7-9H2,1-2H3,(H,15,16)
InChIKeyBDPDSTSKPAEQAS-UHFFFAOYSA-N
XLogP1.13
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
CID 126986999
5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 63289968
N-(2-cyanoethyl)-N-(2-methoxyethyl)-1H-indazole-6-carboxamide
CID 63286734
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168
N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104642764
3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide (CID 63286998) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)N(CCC#N)CCOC)cn1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is BDPDSTSKPAEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-15-12-5-4-11(10-16-12)13(18)17(7-3-6-14)8-9-19-2/h4-5,10H,3,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63286998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).