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

C23H23N3O2 — CID 18832771

IUPACN-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C23H23N3O2/c1-16-10-11-20-19(14-16)18(23(26-20)21-8-2-3-12-24-21)7-4-9-22(27)25-15-17-6-5-13-28-17/h2-3,5-6,8,10-14,26H,4,7,9,15H2,1H3,(H,25,27)
InChIKeyHTFKSSDJTCJLGI-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.77
Rot. Bonds7

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

N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832771) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832771
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3ccco3)c2c1
InChIInChI=1S/C23H23N3O2/c1-16-10-11-20-19(14-16)18(23(26-20)21-8-2-3-12-24-21)7-4-9-22(27)25-15-17-6-5-13-28-17/h2-3,5-6,8,10-14,26H,4,7,9,15H2,1H3,(H,25,27)
InChIKeyHTFKSSDJTCJLGI-UHFFFAOYSA-N
XLogP4.77
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.77
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-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
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832695
N-(furan-2-ylmethyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide
CID 9034569
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 18846980
ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832865
N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832841

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832771) is N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3ccco3)c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is HTFKSSDJTCJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-10-11-20-19(14-16)18(23(26-20)21-8-2-3-12-24-21)7-4-9-22(27)25-15-17-6-5-13-28-17/h2-3,5-6,8,10-14,26H,4,7,9,15H2,1H3,(H,25,27).
What are the key properties of N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 373.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).