3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide

C24H22N4O3 — CID 83290129

IUPAC3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C24H22N4O3/c29-24(26-14-12-18-5-3-4-13-25-18)15-21(17-8-10-19(11-9-17)28(30)31)22-16-27-23-7-2-1-6-20(22)23/h1-11,13,16,21,27H,12,14-15H2,(H,26,29)
InChIKeyNRCKGVOGOWEHIH-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.35
Rot. Bonds8

About 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 83290129) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID83290129
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C24H22N4O3/c29-24(26-14-12-18-5-3-4-13-25-18)15-21(17-8-10-19(11-9-17)28(30)31)22-16-27-23-7-2-1-6-20(22)23/h1-11,13,16,21,27H,12,14-15H2,(H,26,29)
InChIKeyNRCKGVOGOWEHIH-UHFFFAOYSA-N
XLogP4.35
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
(3S)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 98443946
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144
(3S)-N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93122634
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125251
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83285420
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93140233
3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5059153
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 24851301
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 83290129) is 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide is O=C(CC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12)NCCc1ccccn1.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is NRCKGVOGOWEHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-24(26-14-12-18-5-3-4-13-25-18)15-21(17-8-10-19(11-9-17)28(30)31)22-16-27-23-7-2-1-6-20(22)23/h1-11,13,16,21,27H,12,14-15H2,(H,26,29).
What are the key properties of 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 414.47 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 83290129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).