N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide

C19H19N3O2 — CID 111428934

IUPACN-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(O)CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-13(23)6-11-21-19(24)16-12-18(14-7-9-20-10-8-14)22-17-5-3-2-4-15(16)17/h2-5,7-10,12-13,23H,6,11H2,1H3,(H,21,24)
InChIKeyYOFNTOVHMZFVMS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.80
Rot. Bonds5

About N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 111428934) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID111428934
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(O)CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-13(23)6-11-21-19(24)16-12-18(14-7-9-20-10-8-14)22-17-5-3-2-4-15(16)17/h2-5,7-10,12-13,23H,6,11H2,1H3,(H,21,24)
InChIKeyYOFNTOVHMZFVMS-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 111428934) is N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide is CC(O)CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is YOFNTOVHMZFVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(23)6-11-21-19(24)16-12-18(14-7-9-20-10-8-14)22-17-5-3-2-4-15(16)17/h2-5,7-10,12-13,23H,6,11H2,1H3,(H,21,24).
What are the key properties of N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 111428934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).