N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C24H24N4O — CID 18832689

IUPACN-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ncccc3C)c2c1
InChIInChI=1S/C24H24N4O/c1-16-11-12-20-19(15-16)18(23(27-20)21-9-3-4-13-25-21)8-5-10-22(29)28-24-17(2)7-6-14-26-24/h3-4,6-7,9,11-15,27H,5,8,10H2,1-2H3,(H,26,28,29)
InChIKeyLFCMIORWHSMNAE-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.20
Rot. Bonds6

About N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832689) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832689
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ncccc3C)c2c1
InChIInChI=1S/C24H24N4O/c1-16-11-12-20-19(15-16)18(23(27-20)21-9-3-4-13-25-21)8-5-10-22(29)28-24-17(2)7-6-14-26-24/h3-4,6-7,9,11-15,27H,5,8,10H2,1-2H3,(H,26,28,29)
InChIKeyLFCMIORWHSMNAE-UHFFFAOYSA-N
XLogP5.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832695
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832746
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762
ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832865
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-nitrophenyl)butanamide
CID 18832791
N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832771

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832689) is N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ncccc3C)c2c1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is LFCMIORWHSMNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-11-12-20-19(15-16)18(23(27-20)21-9-3-4-13-25-21)8-5-10-22(29)28-24-17(2)7-6-14-26-24/h3-4,6-7,9,11-15,27H,5,8,10H2,1-2H3,(H,26,28,29).
What are the key properties of N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 384.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).