2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide

C20H16ClN3OS — CID 55442013

IUPAC2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)c1ccnc(Cl)c1
InChIInChI=1S/C20H16ClN3OS/c21-19-10-13(7-8-22-19)20(25)24-12-16(18-6-3-9-26-18)15-11-23-17-5-2-1-4-14(15)17/h1-11,16,23H,12H2,(H,24,25)
InChIKeyUEXOXKVGRKEZAE-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.84
Rot. Bonds5

About 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide

2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide (PubChem CID 55442013) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
PubChem CID55442013
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)c1ccnc(Cl)c1
InChIInChI=1S/C20H16ClN3OS/c21-19-10-13(7-8-22-19)20(25)24-12-16(18-6-3-9-26-18)15-11-23-17-5-2-1-4-14(15)17/h1-11,16,23H,12H2,(H,24,25)
InChIKeyUEXOXKVGRKEZAE-UHFFFAOYSA-N
XLogP4.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 9119210
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55647904
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55451169
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55329126
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55383976
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide (CID 55442013) is 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide is O=C(NCC(c1cccs1)c1c[nH]c2ccccc12)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
The InChIKey is UEXOXKVGRKEZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c21-19-10-13(7-8-22-19)20(25)24-12-16(18-6-3-9-26-18)15-11-23-17-5-2-1-4-14(15)17/h1-11,16,23H,12H2,(H,24,25).
What are the key properties of 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide?
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 55442013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).