N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide

C19H20N4O — CID 109180787

IUPACN-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C19H20N4O/c1-2-3-11-21-19(24)17-10-9-15(13-22-17)23-16-8-4-6-14-7-5-12-20-18(14)16/h4-10,12-13,23H,2-3,11H2,1H3,(H,21,24)
InChIKeyPEAVDZIVFHZQJC-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.90
Rot. Bonds6

About N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide

N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109180787) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109180787
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2cccc3cccnc23)cn1
InChIInChI=1S/C19H20N4O/c1-2-3-11-21-19(24)17-10-9-15(13-22-17)23-16-8-4-6-14-7-5-12-20-18(14)16/h4-10,12-13,23H,2-3,11H2,1H3,(H,21,24)
InChIKeyPEAVDZIVFHZQJC-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980
N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109196007
N-(2,6-difluorophenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200781
N-(2,6-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109198241
N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200554
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
N-(5-methyl-1,2-oxazol-3-yl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200783
N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109180715
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109180787) is N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide is CCCCNC(=O)c1ccc(Nc2cccc3cccnc23)cn1.
What is the InChIKey of N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is PEAVDZIVFHZQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-3-11-21-19(24)17-10-9-15(13-22-17)23-16-8-4-6-14-7-5-12-20-18(14)16/h4-10,12-13,23H,2-3,11H2,1H3,(H,21,24).
What are the key properties of N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).