2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide

C22H23N3O2 — CID 109176932

IUPAC2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)N(CC)c3ccccc3)ccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-25(19-8-6-5-7-9-19)22(26)17-14-15-23-21(16-17)24-18-10-12-20(13-11-18)27-4-2/h5-16H,3-4H2,1-2H3,(H,23,24)
InChIKeyKJGMPVOOFRGWDC-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.89
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide

2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide (PubChem CID 109176932) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
PubChem CID109176932
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
SMILESCCOc1ccc(Nc2cc(C(=O)N(CC)c3ccccc3)ccn2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-25(19-8-6-5-7-9-19)22(26)17-14-15-23-21(16-17)24-18-10-12-20(13-11-18)27-4-2/h5-16H,3-4H2,1-2H3,(H,23,24)
InChIKeyKJGMPVOOFRGWDC-UHFFFAOYSA-N
XLogP4.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109178670
2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide
CID 166404882
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
N-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109170820
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109178566
2-(4-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172763

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide (CID 109176932) is 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide is CCOc1ccc(Nc2cc(C(=O)N(CC)c3ccccc3)ccn2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide?
The InChIKey is KJGMPVOOFRGWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-25(19-8-6-5-7-9-19)22(26)17-14-15-23-21(16-17)24-18-10-12-20(13-11-18)27-4-2/h5-16H,3-4H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide?
2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 109176932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).