N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide

C22H24N4O — CID 42749438

IUPACN-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H24N4O/c27-22(24-12-15-26-13-4-1-5-14-26)19-16-21(17-8-10-23-11-9-17)25-20-7-3-2-6-18(19)20/h2-3,6-11,16H,1,4-5,12-15H2,(H,24,27)
InChIKeyIVQKZCOQDLXUGK-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.51
Rot. Bonds5

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

N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 42749438) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID42749438
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H24N4O/c27-22(24-12-15-26-13-4-1-5-14-26)19-16-21(17-8-10-23-11-9-17)25-20-7-3-2-6-18(19)20/h2-3,6-11,16H,1,4-5,12-15H2,(H,24,27)
InChIKeyIVQKZCOQDLXUGK-UHFFFAOYSA-N
XLogP3.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 119447141
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 30471048
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 42749438) is N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCN1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is IVQKZCOQDLXUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(24-12-15-26-13-4-1-5-14-26)19-16-21(17-8-10-23-11-9-17)25-20-7-3-2-6-18(19)20/h2-3,6-11,16H,1,4-5,12-15H2,(H,24,27).
What are the key properties of N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).