3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide

C21H17Cl2N3O3 — CID 20524484

IUPAC3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide
SMILESCC(Oc1ccc(NC(=O)NC(=O)c2ccncc2Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(14-2-4-15(22)5-3-14)29-17-8-6-16(7-9-17)25-21(28)26-20(27)18-10-11-24-12-19(18)23/h2-13H,1H3,(H2,25,26,27,28)
InChIKeySGOYMCYYWNBWJZ-UHFFFAOYSA-N
MW430.29 g/mol
LogP5.49
Rot. Bonds5

About 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide

3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide (PubChem CID 20524484) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide
PubChem CID20524484
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide
SMILESCC(Oc1ccc(NC(=O)NC(=O)c2ccncc2Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(14-2-4-15(22)5-3-14)29-17-8-6-16(7-9-17)25-21(28)26-20(27)18-10-11-24-12-19(18)23/h2-13H,1H3,(H2,25,26,27,28)
InChIKeySGOYMCYYWNBWJZ-UHFFFAOYSA-N
XLogP5.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
CID 70575711
2-methyl-N-[[4-(1-phenoxyethyl)phenyl]carbamoyl]benzamide
CID 70577786
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
CID 20524556
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
CID 17160527
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide (CID 20524484) is 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide is CC(Oc1ccc(NC(=O)NC(=O)c2ccncc2Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide?
The InChIKey is SGOYMCYYWNBWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-13(14-2-4-15(22)5-3-14)29-17-8-6-16(7-9-17)25-21(28)26-20(27)18-10-11-24-12-19(18)23/h2-13H,1H3,(H2,25,26,27,28).
What are the key properties of 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide?
3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide has a molecular weight of 430.29 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide is sourced from PubChem (CID 20524484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).