N-(3,4-diethoxyphenyl)pyridine-2-carboxamide

C16H18N2O3 — CID 17411866

IUPACN-(3,4-diethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccccn2)cc1OCC
InChIInChI=1S/C16H18N2O3/c1-3-20-14-9-8-12(11-15(14)21-4-2)18-16(19)13-7-5-6-10-17-13/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyXJGHJWPUXQBEKI-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.13
Rot. Bonds6

About N-(3,4-diethoxyphenyl)pyridine-2-carboxamide

N-(3,4-diethoxyphenyl)pyridine-2-carboxamide (PubChem CID 17411866) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)pyridine-2-carboxamide
PubChem CID17411866
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3,4-diethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccccn2)cc1OCC
InChIInChI=1S/C16H18N2O3/c1-3-20-14-9-8-12(11-15(14)21-4-2)18-16(19)13-7-5-6-10-17-13/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyXJGHJWPUXQBEKI-UHFFFAOYSA-N
XLogP3.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)pyrazine-2-carboxamide
CID 4882744
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
6-bromo-N-(3-ethoxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 103889781
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
CID 54055082
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642
N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015583

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-diethoxyphenyl)pyridine-2-carboxamide (CID 17411866) is N-(3,4-diethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2ccccn2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is XJGHJWPUXQBEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-20-14-9-8-12(11-15(14)21-4-2)18-16(19)13-7-5-6-10-17-13/h5-11H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-diethoxyphenyl)pyridine-2-carboxamide?
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 17411866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).