N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide

C23H26N4O — CID 4077298

IUPACN-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c28-23(25-11-6-16-27-14-4-1-5-15-27)20-17-22(18-9-12-24-13-10-18)26-21-8-3-2-7-19(20)21/h2-3,7-10,12-13,17H,1,4-6,11,14-16H2,(H,25,28)
InChIKeyPCANOLOKQSFDMB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.90
Rot. Bonds6

About N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 4077298) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID4077298
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c28-23(25-11-6-16-27-14-4-1-5-15-27)20-17-22(18-9-12-24-13-10-18)26-21-8-3-2-7-19(20)21/h2-3,7-10,12-13,17H,1,4-6,11,14-16H2,(H,25,28)
InChIKeyPCANOLOKQSFDMB-UHFFFAOYSA-N
XLogP3.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 30471048
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 4077298) is N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCCN1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is PCANOLOKQSFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(25-11-6-16-27-14-4-1-5-15-27)20-17-22(18-9-12-24-13-10-18)26-21-8-3-2-7-19(20)21/h2-3,7-10,12-13,17H,1,4-6,11,14-16H2,(H,25,28).
What are the key properties of N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 4077298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).