N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide

C17H20N2O4 — CID 2098471

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20N2O4/c1-4-23-17-13(6-5-9-18-17)16(20)19-11-12-7-8-14(21-2)15(10-12)22-3/h5-10H,4,11H2,1-3H3,(H,19,20)
InChIKeyNGHFRHWLYBXNTO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.43
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 2098471) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide
PubChem CID2098471
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H20N2O4/c1-4-23-17-13(6-5-9-18-17)16(20)19-11-12-7-8-14(21-2)15(10-12)22-3/h5-10H,4,11H2,1-3H3,(H,19,20)
InChIKeyNGHFRHWLYBXNTO-UHFFFAOYSA-N
XLogP2.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide (CID 2098471) is N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is NGHFRHWLYBXNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-23-17-13(6-5-9-18-17)16(20)19-11-12-7-8-14(21-2)15(10-12)22-3/h5-10H,4,11H2,1-3H3,(H,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2098471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).