[4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate

C19H18ClN3O3 — CID 174451638

IUPAC[4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate
SMILESCCCC(=O)Oc1cc(N)c(C(=O)c2cn(C)c3ccccc23)c(Cl)n1
InChIInChI=1S/C19H18ClN3O3/c1-3-6-16(24)26-15-9-13(21)17(19(20)22-15)18(25)12-10-23(2)14-8-5-4-7-11(12)14/h4-5,7-10H,3,6H2,1-2H3,(H2,21,22)
InChIKeyKJGYRDQARZRISY-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.75
Rot. Bonds5

About [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate

[4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate (PubChem CID 174451638) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate.

Molecular Properties

Compound Name[4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate
PubChem CID174451638
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name[4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate
SMILESCCCC(=O)Oc1cc(N)c(C(=O)c2cn(C)c3ccccc23)c(Cl)n1
InChIInChI=1S/C19H18ClN3O3/c1-3-6-16(24)26-15-9-13(21)17(19(20)22-15)18(25)12-10-23(2)14-8-5-4-7-11(12)14/h4-5,7-10H,3,6H2,1-2H3,(H2,21,22)
InChIKeyKJGYRDQARZRISY-UHFFFAOYSA-N
XLogP3.75
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate 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

chloro 1-methylindole-3-carboxylate
CID 69132264
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate
CID 102424290
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
hexyl 1-methylindole-3-carboxylate
CID 135057842
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
CID 39965742

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate?
The IUPAC name of [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate (CID 174451638) is [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate.
What is the SMILES notation for [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate?
The canonical SMILES for [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate is CCCC(=O)Oc1cc(N)c(C(=O)c2cn(C)c3ccccc23)c(Cl)n1.
What is the InChIKey of [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate?
The InChIKey is KJGYRDQARZRISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-3-6-16(24)26-15-9-13(21)17(19(20)22-15)18(25)12-10-23(2)14-8-5-4-7-11(12)14/h4-5,7-10H,3,6H2,1-2H3,(H2,21,22).
What are the key properties of [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate?
[4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate has a molecular weight of 371.82 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-chloro-5-(1-methylindole-3-carbonyl)-2-pyridinyl] butanoate is sourced from PubChem (CID 174451638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).