5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide

C19H20N4O — CID 109180980

IUPAC5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cccc3cccnc23)nc1
InChIInChI=1S/C19H20N4O/c1-2-3-11-20-15-9-10-17(22-13-15)19(24)23-16-8-4-6-14-7-5-12-21-18(14)16/h4-10,12-13,20H,2-3,11H2,1H3,(H,23,24)
InChIKeyZQSBJXCDAWSUPK-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.09
Rot. Bonds6

About 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide

5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109180980) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109180980
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cccc3cccnc23)nc1
InChIInChI=1S/C19H20N4O/c1-2-3-11-20-15-9-10-17(22-13-15)19(24)23-16-8-4-6-14-7-5-12-21-18(14)16/h4-10,12-13,20H,2-3,11H2,1H3,(H,23,24)
InChIKeyZQSBJXCDAWSUPK-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109180787
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
5-[2-(2-fluorophenyl)ethylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109192303
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109180924
5-(pyridin-2-ylmethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109191143
5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109189981
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
6-(butylamino)-2-phenyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112852272
N-(2-methyl-3-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641691
5-(cyclopropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180200
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide (CID 109180980) is 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide is CCCCNc1ccc(C(=O)Nc2cccc3cccnc23)nc1.
What is the InChIKey of 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is ZQSBJXCDAWSUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-3-11-20-15-9-10-17(22-13-15)19(24)23-16-8-4-6-14-7-5-12-21-18(14)16/h4-10,12-13,20H,2-3,11H2,1H3,(H,23,24).
What are the key properties of 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide?
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109180980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).