N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide

C19H23N3O — CID 109224434

IUPACN-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N2CCCc3ccccc32)c1
InChIInChI=1S/C19H23N3O/c1-2-3-10-21-19(23)16-12-17(14-20-13-16)22-11-6-8-15-7-4-5-9-18(15)22/h4-5,7,9,12-14H,2-3,6,8,10-11H2,1H3,(H,21,23)
InChIKeyCFCBVFOJUBNNMS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.70
Rot. Bonds5

About N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide

N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide (PubChem CID 109224434) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
PubChem CID109224434
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N2CCCc3ccccc32)c1
InChIInChI=1S/C19H23N3O/c1-2-3-10-21-19(23)16-12-17(14-20-13-16)22-11-6-8-15-7-4-5-9-18(15)22/h4-5,7,9,12-14H,2-3,6,8,10-11H2,1H3,(H,21,23)
InChIKeyCFCBVFOJUBNNMS-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227719
N-(2,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109242657
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109242623
5-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235536
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242624
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242505
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109056273

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide (CID 109224434) is N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide is CCCCNC(=O)c1cncc(N2CCCc3ccccc32)c1.
What is the InChIKey of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The InChIKey is CFCBVFOJUBNNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-3-10-21-19(23)16-12-17(14-20-13-16)22-11-6-8-15-7-4-5-9-18(15)22/h4-5,7,9,12-14H,2-3,6,8,10-11H2,1H3,(H,21,23).
What are the key properties of N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109224434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).