5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide

C23H19N5O2 — CID 109245897

IUPAC5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)Nc3cccc4cccnc34)c2)cc1
InChIInChI=1S/C23H19N5O2/c1-15(29)26-18-7-9-19(10-8-18)27-20-12-17(13-24-14-20)23(30)28-21-6-2-4-16-5-3-11-25-22(16)21/h2-14,27H,1H3,(H,26,29)(H,28,30)
InChIKeyOFEMQBYPBSJLCA-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.58
Rot. Bonds5

About 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide

5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109245897) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109245897
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)Nc3cccc4cccnc34)c2)cc1
InChIInChI=1S/C23H19N5O2/c1-15(29)26-18-7-9-19(10-8-18)27-20-12-17(13-24-14-20)23(30)28-21-6-2-4-16-5-3-11-25-22(16)21/h2-14,27H,1H3,(H,26,29)(H,28,30)
InChIKeyOFEMQBYPBSJLCA-UHFFFAOYSA-N
XLogP4.58
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108326
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109246222
3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
CID 109233513

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109245897) is 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide is CC(=O)Nc1ccc(Nc2cncc(C(=O)Nc3cccc4cccnc34)c2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is OFEMQBYPBSJLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15(29)26-18-7-9-19(10-8-18)27-20-12-17(13-24-14-20)23(30)28-21-6-2-4-16-5-3-11-25-22(16)21/h2-14,27H,1H3,(H,26,29)(H,28,30).
What are the key properties of 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109245897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).