4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide

C25H23N3O — CID 138674422

IUPAC4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
SMILESCc1ccc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc2n1
InChIInChI=1S/C25H23N3O/c1-18-7-10-22-16-21(13-14-24(22)27-18)20-11-8-19(9-12-20)4-2-6-25(29)28-23-5-3-15-26-17-23/h3,5,7-17H,2,4,6H2,1H3,(H,28,29)
InChIKeyQQUBHHYRBMLKCY-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.57
Rot. Bonds6

About 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide

4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide (PubChem CID 138674422) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
PubChem CID138674422
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
SMILESCc1ccc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc2n1
InChIInChI=1S/C25H23N3O/c1-18-7-10-22-16-21(13-14-24(22)27-18)20-11-8-19(9-12-20)4-2-6-25(29)28-23-5-3-15-26-17-23/h3,5,7-17H,2,4,6H2,1H3,(H,28,29)
InChIKeyQQUBHHYRBMLKCY-UHFFFAOYSA-N
XLogP5.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674494
4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674485
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674503
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
CID 138674390
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
4-[4-(1,3-dimethylpyrazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;4-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-N-pyridin-3-ylbutanamide;4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-pyridin-3-ylbutanamide;N-pyridin-3-yl-4-(4-pyridin-4-ylphenyl)butanamide;N-pyridin-3-yl-4-[4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)phenyl]butanamide
CID 165044605
4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 164706505
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide (CID 138674422) is 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide is Cc1ccc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc2n1.
What is the InChIKey of 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide?
The InChIKey is QQUBHHYRBMLKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-7-10-22-16-21(13-14-24(22)27-18)20-11-8-19(9-12-20)4-2-6-25(29)28-23-5-3-15-26-17-23/h3,5,7-17H,2,4,6H2,1H3,(H,28,29).
What are the key properties of 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide?
4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide has a molecular weight of 381.48 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 138674422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).