5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

C22H23N3O2 — CID 109243078

IUPAC5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H23N3O2/c1-4-27-21-8-6-5-7-20(21)25-22(26)17-12-19(14-23-13-17)24-18-10-15(2)9-16(3)11-18/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyTUIZCCQORWTGOP-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.09
Rot. Bonds6

About 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109243078) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109243078
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H23N3O2/c1-4-27-21-8-6-5-7-20(21)25-22(26)17-12-19(14-23-13-17)24-18-10-15(2)9-16(3)11-18/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyTUIZCCQORWTGOP-UHFFFAOYSA-N
XLogP5.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109244073
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
N-(2-ethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-3-carboxamide
CID 109243714
5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109245401
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
N-(2,4-difluorophenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109245433
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101457

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (CID 109243078) is 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cncc(Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is TUIZCCQORWTGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-27-21-8-6-5-7-20(21)25-22(26)17-12-19(14-23-13-17)24-18-10-15(2)9-16(3)11-18/h5-14,24H,4H2,1-3H3,(H,25,26).
What are the key properties of 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).