N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide

C21H18Cl3N3O2 — CID 53312033

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1N(C)C(=O)c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H18Cl3N3O2/c1-26(2)17-7-5-13(22)10-18(17)27(3)21(28)15-12-25-9-8-19(15)29-20-11-14(23)4-6-16(20)24/h4-12H,1-3H3
InChIKeyLICBNEQILVZLPP-UHFFFAOYSA-N
MW450.75 g/mol
LogP6.18
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide (PubChem CID 53312033) has the molecular formula C21H18Cl3N3O2 and a molecular weight of 450.75 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide
PubChem CID53312033
Molecular FormulaC21H18Cl3N3O2
Molecular Weight450.75 g/mol
Exact Mass449.05
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide
SMILESCN(C)c1ccc(Cl)cc1N(C)C(=O)c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H18Cl3N3O2/c1-26(2)17-7-5-13(22)10-18(17)27(3)21(28)15-12-25-9-8-19(15)29-20-11-14(23)4-6-16(20)24/h4-12H,1-3H3
InChIKeyLICBNEQILVZLPP-UHFFFAOYSA-N
XLogP6.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(4-methoxy-3-pyridinyl)-N-methylpyridine-3-carboxamide
CID 46194847
4-(2,5-dichlorophenoxy)-N-[(4,5-difluoro-2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 123825583
2-(2,5-dichlorophenoxy)-N-methyl-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 59294533
2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide
CID 59294517
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71459275
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71461055
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
tert-butyl 4-[4-(2,5-dichlorophenoxy)pyridine-3-carbonyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 141309045
(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
CID 53311952
(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine
CID 144756209
4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid
CID 81225444
2-[(3-bromo-4-pyridinyl)oxy]-5-chlorobenzoic acid
CID 113452226

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide (CID 53312033) is N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide is CN(C)c1ccc(Cl)cc1N(C)C(=O)c1cnccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide?
The InChIKey is LICBNEQILVZLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3N3O2/c1-26(2)17-7-5-13(22)10-18(17)27(3)21(28)15-12-25-9-8-19(15)29-20-11-14(23)4-6-16(20)24/h4-12H,1-3H3.
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide has a molecular weight of 450.75 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 53312033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).