N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C18H20Cl2N4O — CID 109230698

IUPACN-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-2-23-5-7-24(8-6-23)15-9-13(11-21-12-15)18(25)22-14-3-4-16(19)17(20)10-14/h3-4,9-12H,2,5-8H2,1H3,(H,22,25)
InChIKeyRQASKJDCPSPIGV-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.78
Rot. Bonds4

About N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230698) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230698
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC NameN-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1
InChIInChI=1S/C18H20Cl2N4O/c1-2-23-5-7-24(8-6-23)15-9-13(11-21-12-15)18(25)22-14-3-4-16(19)17(20)10-14/h3-4,9-12H,2,5-8H2,1H3,(H,22,25)
InChIKeyRQASKJDCPSPIGV-UHFFFAOYSA-N
XLogP3.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224744
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230698) is N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is RQASKJDCPSPIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-2-23-5-7-24(8-6-23)15-9-13(11-21-12-15)18(25)22-14-3-4-16(19)17(20)10-14/h3-4,9-12H,2,5-8H2,1H3,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).