2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C22H17Cl2N3O — CID 55341798

IUPAC2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccnc1Cl
InChIInChI=1S/C22H17Cl2N3O/c23-19-9-3-1-6-14(19)17(18-12-26-20-10-4-2-7-15(18)20)13-27-22(28)16-8-5-11-25-21(16)24/h1-12,17,26H,13H2,(H,27,28)
InChIKeyBLIRMIKRLRTJKL-UHFFFAOYSA-N
MW410.30 g/mol
LogP5.43
Rot. Bonds5

About 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 55341798) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID55341798
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccnc1Cl
InChIInChI=1S/C22H17Cl2N3O/c23-19-9-3-1-6-14(19)17(18-12-26-20-10-4-2-7-15(18)20)13-27-22(28)16-8-5-11-25-21(16)24/h1-12,17,26H,13H2,(H,27,28)
InChIKeyBLIRMIKRLRTJKL-UHFFFAOYSA-N
XLogP5.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24503109
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 25377233
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 99813124
2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2410230
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46520082
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 55341798) is 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is O=C(NCC(c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is BLIRMIKRLRTJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c23-19-9-3-1-6-14(19)17(18-12-26-20-10-4-2-7-15(18)20)13-27-22(28)16-8-5-11-25-21(16)24/h1-12,17,26H,13H2,(H,27,28).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55341798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).