N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide

C20H22N4O3 — CID 51950729

IUPACN-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide
SMILESCC(C)[C@H](NC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-14(2)20(15-6-4-3-5-7-15)22-19(25)10-11-23-18-12-17(24(26)27)9-8-16(18)13-21-23/h3-9,12-14,20H,10-11H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyAWJBYPMBZWRQJM-FQEVSTJZSA-N
MW366.42 g/mol
LogP3.85
Rot. Bonds7

About N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide

N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide (PubChem CID 51950729) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide
PubChem CID51950729
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide
SMILESCC(C)[C@H](NC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-14(2)20(15-6-4-3-5-7-15)22-19(25)10-11-23-18-12-17(24(26)27)9-8-16(18)13-21-23/h3-9,12-14,20H,10-11H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyAWJBYPMBZWRQJM-FQEVSTJZSA-N
XLogP3.85
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide
CID 51950730
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(6-nitroindazol-1-yl)propanamide
CID 98685769
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-butyl-6-nitroindazole
CID 155169975
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60607243
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418
2-methyl-N-[3-(6-nitroindazol-1-yl)propyl]propan-2-amine
CID 61387689
2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 24568213
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide (CID 51950729) is N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide is CC(C)[C@H](NC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide?
The InChIKey is AWJBYPMBZWRQJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(2)20(15-6-4-3-5-7-15)22-19(25)10-11-23-18-12-17(24(26)27)9-8-16(18)13-21-23/h3-9,12-14,20H,10-11H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide?
N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-phenylpropyl]-3-(6-nitroindazol-1-yl)propanamide is sourced from PubChem (CID 51950729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).