N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide

C25H23N5O4 — CID 18832813

IUPACN'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c2c1
InChIInChI=1S/C25H23N5O4/c1-16-12-13-20-19(15-16)17(24(27-20)21-9-4-5-14-26-21)8-6-11-23(31)28-29-25(32)18-7-2-3-10-22(18)30(33)34/h2-5,7,9-10,12-15,27H,6,8,11H2,1H3,(H,28,31)(H,29,32)
InChIKeyHBPKJFGYOWWOEL-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.23
Rot. Bonds7

About N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide

N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide (PubChem CID 18832813) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide
PubChem CID18832813
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c2c1
InChIInChI=1S/C25H23N5O4/c1-16-12-13-20-19(15-16)17(24(27-20)21-9-4-5-14-26-21)8-6-11-23(31)28-29-25(32)18-7-2-3-10-22(18)30(33)34/h2-5,7,9-10,12-15,27H,6,8,11H2,1H3,(H,28,31)(H,29,32)
InChIKeyHBPKJFGYOWWOEL-UHFFFAOYSA-N
XLogP4.23
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18833018
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-nitrophenyl)butanamide
CID 18832791
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832746
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832865
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
N-(2,4-dimethyl-6-nitrophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833244
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
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773

Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide?
The IUPAC name of N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide (CID 18832813) is N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide.
What is the SMILES notation for N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide?
The canonical SMILES for N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c2c1.
What is the InChIKey of N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide?
The InChIKey is HBPKJFGYOWWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-16-12-13-20-19(15-16)17(24(27-20)21-9-4-5-14-26-21)8-6-11-23(31)28-29-25(32)18-7-2-3-10-22(18)30(33)34/h2-5,7,9-10,12-15,27H,6,8,11H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide?
N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide has a molecular weight of 457.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]-2-nitrobenzohydrazide is sourced from PubChem (CID 18832813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).