5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

C24H27N3O2 — CID 109244073

IUPAC5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-5-29-22-9-7-6-8-21(22)27-23(28)17-14-20(16-25-15-17)26-19-12-10-18(11-13-19)24(2,3)4/h6-16,26H,5H2,1-4H3,(H,27,28)
InChIKeyKUQWSYBFEUJVIQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.77
Rot. Bonds6

About 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide

5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109244073) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109244073
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-5-29-22-9-7-6-8-21(22)27-23(28)17-14-20(16-25-15-17)26-19-12-10-18(11-13-19)24(2,3)4/h6-16,26H,5H2,1-4H3,(H,27,28)
InChIKeyKUQWSYBFEUJVIQ-UHFFFAOYSA-N
XLogP5.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109242967
5-(3,5-dimethylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109243078
5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109245401
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
5-(benzylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109231887
N-(2-ethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-3-carboxamide
CID 109243714
N-(2,4-difluorophenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109245433
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109292315
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-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide (CID 109244073) is 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is KUQWSYBFEUJVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-29-22-9-7-6-8-21(22)27-23(28)17-14-20(16-25-15-17)26-19-12-10-18(11-13-19)24(2,3)4/h6-16,26H,5H2,1-4H3,(H,27,28).
What are the key properties of 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).