4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide

C19H20ClN3O — CID 18832951

IUPAC4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN3O/c1-23(2)18(24)8-5-6-14-15-12-13(20)9-10-16(15)22-19(14)17-7-3-4-11-21-17/h3-4,7,9-12,22H,5-6,8H2,1-2H3
InChIKeyFNDQHXMQACNHEU-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.29
Rot. Bonds5

About 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide

4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide (PubChem CID 18832951) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide
PubChem CID18832951
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN3O/c1-23(2)18(24)8-5-6-14-15-12-13(20)9-10-16(15)22-19(14)17-7-3-4-11-21-17/h3-4,7,9-12,22H,5-6,8H2,1-2H3
InChIKeyFNDQHXMQACNHEU-UHFFFAOYSA-N
XLogP4.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide (CID 18832951) is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide?
The InChIKey is FNDQHXMQACNHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-23(2)18(24)8-5-6-14-15-12-13(20)9-10-16(15)22-19(14)17-7-3-4-11-21-17/h3-4,7,9-12,22H,5-6,8H2,1-2H3.
What are the key properties of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide?
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide has a molecular weight of 341.84 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 18832951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).