5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide

C14H12Cl3N3O2 — CID 133308115

IUPAC5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC(O)c2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl3N3O2/c15-9-1-7(2-10(16)4-9)12(21)6-20-14-11(17)3-8(5-19-14)13(18)22/h1-5,12,21H,6H2,(H2,18,22)(H,19,20)
InChIKeyOXCGZDIBZIJEJE-UHFFFAOYSA-N
MW360.63 g/mol
LogP3.29
Rot. Bonds5

About 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide

5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide (PubChem CID 133308115) has the molecular formula C14H12Cl3N3O2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
PubChem CID133308115
Molecular FormulaC14H12Cl3N3O2
Molecular Weight360.63 g/mol
Exact Mass359.00
IUPAC Name5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC(O)c2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl3N3O2/c15-9-1-7(2-10(16)4-9)12(21)6-20-14-11(17)3-8(5-19-14)13(18)22/h1-5,12,21H,6H2,(H2,18,22)(H,19,20)
InChIKeyOXCGZDIBZIJEJE-UHFFFAOYSA-N
XLogP3.29
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 56798988
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 94801285
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 133308195
5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide
CID 47292812
[5-chloro-6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133477163
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide (CID 133308115) is 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide is NC(=O)c1cnc(NCC(O)c2cc(Cl)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide?
The InChIKey is OXCGZDIBZIJEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O2/c15-9-1-7(2-10(16)4-9)12(21)6-20-14-11(17)3-8(5-19-14)13(18)22/h1-5,12,21H,6H2,(H2,18,22)(H,19,20).
What are the key properties of 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide?
5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide has a molecular weight of 360.63 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133308115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).