4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide

C21H23N3O — CID 18832745

IUPAC4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C21H23N3O/c1-3-12-23-20(25)9-6-7-16-17-14-15(2)10-11-18(17)24-21(16)19-8-4-5-13-22-19/h3-5,8,10-11,13-14,24H,1,6-7,9,12H2,2H3,(H,23,25)
InChIKeyFEQMZDGFMDCHDY-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.16
Rot. Bonds7

About 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide

4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide (PubChem CID 18832745) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
PubChem CID18832745
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12
InChIInChI=1S/C21H23N3O/c1-3-12-23-20(25)9-6-7-16-17-14-15(2)10-11-18(17)24-21(16)19-8-4-5-13-22-19/h3-5,8,10-11,13-14,24H,1,6-7,9,12H2,2H3,(H,23,25)
InChIKeyFEQMZDGFMDCHDY-UHFFFAOYSA-N
XLogP4.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
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
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832771
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
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
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
N,N-bis(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832841
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 18846980

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide?
The IUPAC name of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide (CID 18832745) is 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide is C=CCNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(C)cc12.
What is the InChIKey of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide?
The InChIKey is FEQMZDGFMDCHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-12-23-20(25)9-6-7-16-17-14-15(2)10-11-18(17)24-21(16)19-8-4-5-13-22-19/h3-5,8,10-11,13-14,24H,1,6-7,9,12H2,2H3,(H,23,25).
What are the key properties of 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide?
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide has a molecular weight of 333.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 18832745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).