6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide

C25H23N3O — CID 138674427

IUPAC6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2cccc(-c3ccc4ncccc4c3)c2)cn1
InChIInChI=1S/C25H23N3O/c1-18-9-10-23(17-28-18)25(29)27-14-3-6-19-5-2-7-20(15-19)21-11-12-24-22(16-21)8-4-13-26-24/h2,4-5,7-13,15-17H,3,6,14H2,1H3,(H,27,29)
InChIKeyYUOSKGPMJYRZGN-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.97
Rot. Bonds6

About 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide

6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 138674427) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
PubChem CID138674427
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCc2cccc(-c3ccc4ncccc4c3)c2)cn1
InChIInChI=1S/C25H23N3O/c1-18-9-10-23(17-28-18)25(29)27-14-3-6-19-5-2-7-20(15-19)21-11-12-24-22(16-21)8-4-13-26-24/h2,4-5,7-13,15-17H,3,6,14H2,1H3,(H,27,29)
InChIKeyYUOSKGPMJYRZGN-UHFFFAOYSA-N
XLogP4.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758339
4-(3-quinolin-6-ylphenyl)butan-2-one
CID 82540933
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-ethyl-6-quinolin-6-ylpyridine-3-carboxamide
CID 50955108
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
6-methyl-N-[3-[4-[4-(methylideneamino)-3-[(Z)-prop-1-enyl]phenyl]phenyl]propyl]pyridine-3-carboxamide
CID 167009420
N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674391
N-octylquinoline-6-carboxamide
CID 68863650
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
6-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 138674590

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide (CID 138674427) is 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCc2cccc(-c3ccc4ncccc4c3)c2)cn1.
What is the InChIKey of 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is YUOSKGPMJYRZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-9-10-23(17-28-18)25(29)27-14-3-6-19-5-2-7-20(15-19)21-11-12-24-22(16-21)8-4-13-26-24/h2,4-5,7-13,15-17H,3,6,14H2,1H3,(H,27,29).
What are the key properties of 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 138674427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).