N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C23H20ClN3O2 — CID 35680929

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1=O
InChIInChI=1S/C23H20ClN3O2/c1-27-11-10-15(12-22(27)28)23(29)26-14-18(16-6-2-4-8-20(16)24)19-13-25-21-9-5-3-7-17(19)21/h2-13,18,25H,14H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyODFGBCKCLYYLQS-SFHVURJKSA-N
MW405.89 g/mol
LogP4.08
Rot. Bonds5

About N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 35680929) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID35680929
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1=O
InChIInChI=1S/C23H20ClN3O2/c1-27-11-10-15(12-22(27)28)23(29)26-14-18(16-6-2-4-8-20(16)24)19-13-25-21-9-5-3-7-17(19)21/h2-13,18,25H,14H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyODFGBCKCLYYLQS-SFHVURJKSA-N
XLogP4.08
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46520082
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 25377233
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17462097
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide
CID 2116251
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998716
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 35680929) is N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1=O.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is ODFGBCKCLYYLQS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-27-11-10-15(12-22(27)28)23(29)26-14-18(16-6-2-4-8-20(16)24)19-13-25-21-9-5-3-7-17(19)21/h2-13,18,25H,14H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 35680929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).