N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide

C25H28N4O — CID 56569028

IUPACN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C25H28N4O/c1-18(2)9-14-29-15-10-20(11-16-29)27-25(30)22-17-24(19-7-12-26-13-8-19)28-23-6-4-3-5-21(22)23/h3-9,12-13,17,20H,10-11,14-16H2,1-2H3,(H,27,30)
InChIKeyNYUCVIBVZMCNJO-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.46
Rot. Bonds5

About N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 56569028) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID56569028
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C25H28N4O/c1-18(2)9-14-29-15-10-20(11-16-29)27-25(30)22-17-24(19-7-12-26-13-8-19)28-23-6-4-3-5-21(22)23/h3-9,12-13,17,20H,10-11,14-16H2,1-2H3,(H,27,30)
InChIKeyNYUCVIBVZMCNJO-UHFFFAOYSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-(2-methylpiperidin-4-yl)-2-pyridin-4-ylquinoline-4-carboxamide;dihydrochloride
CID 120598205
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 56568880
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 56569028) is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide is CC(C)=CCN1CCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is NYUCVIBVZMCNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18(2)9-14-29-15-10-20(11-16-29)27-25(30)22-17-24(19-7-12-26-13-8-19)28-23-6-4-3-5-21(22)23/h3-9,12-13,17,20H,10-11,14-16H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 56569028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).