N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

C14H12Cl2N2O — CID 17472910

IUPACN-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-4-3-10(13(16)8-12)5-7-18-14(19)11-2-1-6-17-9-11/h1-4,6,8-9H,5,7H2,(H,18,19)
InChIKeyHDLXYJHGMZNPGE-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 17472910) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID17472910
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-4-3-10(13(16)8-12)5-7-18-14(19)11-2-1-6-17-9-11/h1-4,6,8-9H,5,7H2,(H,18,19)
InChIKeyHDLXYJHGMZNPGE-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110416767
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
CID 113015856
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-3-carboxamide
CID 4898022
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (CID 17472910) is N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1cccnc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is HDLXYJHGMZNPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-12-4-3-10(13(16)8-12)5-7-18-14(19)11-2-1-6-17-9-11/h1-4,6,8-9H,5,7H2,(H,18,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 17472910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).