N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide

C17H20N2O3 — CID 100629145

IUPACN-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cccnc2)cc1OCC
InChIInChI=1S/C17H20N2O3/c1-3-21-15-8-7-13(10-16(15)22-4-2)11-19-17(20)14-6-5-9-18-12-14/h5-10,12H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyKISJMCSJLNKGGV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.81
Rot. Bonds7

About N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide

N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 100629145) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID100629145
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cccnc2)cc1OCC
InChIInChI=1S/C17H20N2O3/c1-3-21-15-8-7-13(10-16(15)22-4-2)11-19-17(20)14-6-5-9-18-12-14/h5-10,12H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyKISJMCSJLNKGGV-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30838230
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-benzylpyridine-3-carboxamide chloride
CID 21204170

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide (CID 100629145) is N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide is CCOc1ccc(CNC(=O)c2cccnc2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KISJMCSJLNKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-21-15-8-7-13(10-16(15)22-4-2)11-19-17(20)14-6-5-9-18-12-14/h5-10,12H,3-4,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide?
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 100629145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).