N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide

C24H16Cl2N4O2 — CID 69083739

IUPACN-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc(CNC(=O)c3cccn3-c3ncc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H16Cl2N4O2/c25-18-12-21(26)23(28-15-18)30-11-1-2-22(30)24(31)29-14-17-5-9-20(10-6-17)32-19-7-3-16(13-27)4-8-19/h1-12,15H,14H2,(H,29,31)
InChIKeyOEQVEUISABTHDS-UHFFFAOYSA-N
MW463.32 g/mol
LogP5.77
Rot. Bonds6

About N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide

N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 69083739) has the molecular formula C24H16Cl2N4O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide
PubChem CID69083739
Molecular FormulaC24H16Cl2N4O2
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC NameN-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc(CNC(=O)c3cccn3-c3ncc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H16Cl2N4O2/c25-18-12-21(26)23(28-15-18)30-11-1-2-22(30)24(31)29-14-17-5-9-20(10-6-17)32-19-7-3-16(13-27)4-8-19/h1-12,15H,14H2,(H,29,31)
InChIKeyOEQVEUISABTHDS-UHFFFAOYSA-N
XLogP5.77
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
CID 69083143
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 69084483
2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69083738
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide
CID 69085086
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617
5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62269659
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
CID 89292810
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69086236

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide (CID 69083739) is N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide is N#Cc1ccc(Oc2ccc(CNC(=O)c3cccn3-c3ncc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is OEQVEUISABTHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O2/c25-18-12-21(26)23(28-15-18)30-11-1-2-22(30)24(31)29-14-17-5-9-20(10-6-17)32-19-7-3-16(13-27)4-8-19/h1-12,15H,14H2,(H,29,31).
What are the key properties of N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide?
N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 463.32 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 69083739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).