N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide

C30H32N4O — CID 20964871

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C30H32N4O/c1-22-10-11-27-25(19-22)26(21-29(33-27)28-9-5-6-14-31-28)30(35)32-15-18-34-16-12-24(13-17-34)20-23-7-3-2-4-8-23/h2-11,14,19,21,24H,12-13,15-18,20H2,1H3,(H,32,35)
InChIKeyLWBFJRHDSRBFLQ-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.29
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 20964871) has the molecular formula C30H32N4O and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID20964871
Molecular FormulaC30H32N4O
Molecular Weight464.61 g/mol
Exact Mass464.26
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C30H32N4O/c1-22-10-11-27-25(19-22)26(21-29(33-27)28-9-5-6-14-31-28)30(35)32-15-18-34-16-12-24(13-17-34)20-23-7-3-2-4-8-23/h2-11,14,19,21,24H,12-13,15-18,20H2,1H3,(H,32,35)
InChIKeyLWBFJRHDSRBFLQ-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 17126635
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349002
5-N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353919
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968613
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798110
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 20964871) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is LWBFJRHDSRBFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O/c1-22-10-11-27-25(19-22)26(21-29(33-27)28-9-5-6-14-31-28)30(35)32-15-18-34-16-12-24(13-17-34)20-23-7-3-2-4-8-23/h2-11,14,19,21,24H,12-13,15-18,20H2,1H3,(H,32,35).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 20964871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).