N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide

C23H21Cl3N2O2 — CID 86597669

IUPACN-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1cc(Cl)cc(C(C)(C)C(=O)N(C)c2cnc(Cl)cc2-c2ccccc2Cl)c1
InChIInChI=1S/C23H21Cl3N2O2/c1-23(2,14-9-15(24)11-16(10-14)30-4)22(29)28(3)20-13-27-21(26)12-18(20)17-7-5-6-8-19(17)25/h5-13H,1-4H3
InChIKeyMFPBFGICAXDSAP-UHFFFAOYSA-N
MW463.79 g/mol
LogP6.66
Rot. Bonds5

About N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide

N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide (PubChem CID 86597669) has the molecular formula C23H21Cl3N2O2 and a molecular weight of 463.79 g/mol. Its IUPAC name is N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide
PubChem CID86597669
Molecular FormulaC23H21Cl3N2O2
Molecular Weight463.79 g/mol
Exact Mass462.07
IUPAC NameN-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1cc(Cl)cc(C(C)(C)C(=O)N(C)c2cnc(Cl)cc2-c2ccccc2Cl)c1
InChIInChI=1S/C23H21Cl3N2O2/c1-23(2,14-9-15(24)11-16(10-14)30-4)22(29)28(3)20-13-27-21(26)12-18(20)17-7-5-6-8-19(17)25/h5-13H,1-4H3
InChIKeyMFPBFGICAXDSAP-UHFFFAOYSA-N
XLogP6.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.79
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile
CID 155803729
(5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione
CID 155803731
2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile
CID 155803732
5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione
CID 155926652
5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
CID 155926655
Inhibitor 4 of SARS-CoV-2 Mpro
CID 156023325
(5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 156587560
Perampanel, 27
CID 155803139
Inhibitor 8 of SARS-CoV-2 Mpro
CID 156023329
3-(3-Methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 118238848
PET-UNK-bb7ffe78-2
CID 156906451
(5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione
CID 155803730

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide?
The IUPAC name of N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide (CID 86597669) is N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide is COc1cc(Cl)cc(C(C)(C)C(=O)N(C)c2cnc(Cl)cc2-c2ccccc2Cl)c1.
What is the InChIKey of N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide?
The InChIKey is MFPBFGICAXDSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N2O2/c1-23(2,14-9-15(24)11-16(10-14)30-4)22(29)28(3)20-13-27-21(26)12-18(20)17-7-5-6-8-19(17)25/h5-13H,1-4H3.
What are the key properties of N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide?
N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide has a molecular weight of 463.79 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 86597669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).