N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C26H25N3O — CID 2220449

IUPACN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2c1
InChIInChI=1S/C26H25N3O/c1-16-5-8-24-22(13-16)23(15-25(29-24)20-9-11-27-12-10-20)26(30)28-19(4)21-7-6-17(2)18(3)14-21/h5-15,19H,1-4H3,(H,28,30)/t19-/m1/s1
InChIKeyGHYCFJCMURWTAM-LJQANCHMSA-N
MW395.51 g/mol
LogP5.71
Rot. Bonds4

About N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2220449) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2220449
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2c1
InChIInChI=1S/C26H25N3O/c1-16-5-8-24-22(13-16)23(15-25(29-24)20-9-11-27-12-10-20)26(30)28-19(4)21-7-6-17(2)18(3)14-21/h5-15,19H,1-4H3,(H,28,30)/t19-/m1/s1
InChIKeyGHYCFJCMURWTAM-LJQANCHMSA-N
XLogP5.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749878
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749811
2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 42749695
6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 1261502

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 2220449) is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2c1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is GHYCFJCMURWTAM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25N3O/c1-16-5-8-24-22(13-16)23(15-25(29-24)20-9-11-27-12-10-20)26(30)28-19(4)21-7-6-17(2)18(3)14-21/h5-15,19H,1-4H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).