(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide

C18H17ClN4O3 — CID 99794385

IUPAC(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(Cl)ccc1O
InChIInChI=1S/C18H17ClN4O3/c1-10(24)21-14(8-11-9-20-13-5-3-2-4-12(11)13)18(26)23-17-15(25)6-7-16(19)22-17/h2-7,9,14,20,25H,8H2,1H3,(H,21,24)(H,22,23,26)/t14-/m1/s1
InChIKeyQDZFGKJJHLABOJ-CQSZACIVSA-N
MW372.81 g/mol
LogP2.61
Rot. Bonds5

About (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide

(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 99794385) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide
PubChem CID99794385
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(Cl)ccc1O
InChIInChI=1S/C18H17ClN4O3/c1-10(24)21-14(8-11-9-20-13-5-3-2-4-12(11)13)18(26)23-17-15(25)6-7-16(19)22-17/h2-7,9,14,20,25H,8H2,1H3,(H,21,24)(H,22,23,26)/t14-/m1/s1
InChIKeyQDZFGKJJHLABOJ-CQSZACIVSA-N
XLogP2.61
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-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

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828161
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 51163488
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide (CID 99794385) is (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide is CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(Cl)ccc1O.
What is the InChIKey of (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is QDZFGKJJHLABOJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-10(24)21-14(8-11-9-20-13-5-3-2-4-12(11)13)18(26)23-17-15(25)6-7-16(19)22-17/h2-7,9,14,20,25H,8H2,1H3,(H,21,24)(H,22,23,26)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide?
(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 372.81 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 99794385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).