N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide

C26H25N3O — CID 42796393

IUPACN-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cccnc1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C26H25N3O/c1-20(13-14-21-8-3-2-4-9-21)29(19-22-10-7-17-27-18-22)26(30)25-16-15-23-11-5-6-12-24(23)28-25/h2-12,15-18,20H,13-14,19H2,1H3
InChIKeyRWTSULFOCLLREW-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.29
Rot. Bonds7

About N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide

N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide (PubChem CID 42796393) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
PubChem CID42796393
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cccnc1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C26H25N3O/c1-20(13-14-21-8-3-2-4-9-21)29(19-22-10-7-17-27-18-22)26(30)25-16-15-23-11-5-6-12-24(23)28-25/h2-12,15-18,20H,13-14,19H2,1H3
InChIKeyRWTSULFOCLLREW-UHFFFAOYSA-N
XLogP5.29
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide
CID 175062008
2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42796396
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 42789426
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
1,3-dimethyl-2,4-dioxo-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47049882
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 2630730
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385
N-(1H-imidazol-2-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42786814

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide (CID 42796393) is N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide is CC(CCc1ccccc1)N(Cc1cccnc1)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide?
The InChIKey is RWTSULFOCLLREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-20(13-14-21-8-3-2-4-9-21)29(19-22-10-7-17-27-18-22)26(30)25-16-15-23-11-5-6-12-24(23)28-25/h2-12,15-18,20H,13-14,19H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide?
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 42796393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).