5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide

C25H24N4O — CID 109244039

IUPAC5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cncc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C25H24N4O/c1-25(2,3)20-10-4-5-11-21(20)28-19-14-18(15-26-16-19)24(30)29-22-12-6-8-17-9-7-13-27-23(17)22/h4-16,28H,1-3H3,(H,29,30)
InChIKeySFSHRDVUJFDYJM-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.92
Rot. Bonds4

About 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide

5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109244039) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109244039
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cncc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C25H24N4O/c1-25(2,3)20-10-4-5-11-21(20)28-19-14-18(15-26-16-19)24(30)29-22-12-6-8-17-9-7-13-27-23(17)22/h4-16,28H,1-3H3,(H,29,30)
InChIKeySFSHRDVUJFDYJM-UHFFFAOYSA-N
XLogP5.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
N-tert-butyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109239349
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpyridine-3-carboxamide
CID 109233513
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
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
3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108326

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109244039) is 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide is CC(C)(C)c1ccccc1Nc1cncc(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is SFSHRDVUJFDYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-25(2,3)20-10-4-5-11-21(20)28-19-14-18(15-26-16-19)24(30)29-22-12-6-8-17-9-7-13-27-23(17)22/h4-16,28H,1-3H3,(H,29,30).
What are the key properties of 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide?
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109244039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).