5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

C16H15Cl2N3O2 — CID 55769960

IUPAC5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2N3O2/c1-2-19-15(22)11-5-3-4-10(6-11)8-21-16(23)12-7-13(17)14(18)20-9-12/h3-7,9H,2,8H2,1H3,(H,19,22)(H,21,23)
InChIKeyIASXVKDGPZMMRU-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.07
Rot. Bonds5

About 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55769960) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55769960
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2N3O2/c1-2-19-15(22)11-5-3-4-10(6-11)8-21-16(23)12-7-13(17)14(18)20-9-12/h3-7,9H,2,8H2,1H3,(H,19,22)(H,21,23)
InChIKeyIASXVKDGPZMMRU-UHFFFAOYSA-N
XLogP3.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 60789641
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 55724271
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55724024
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
CID 71871569

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (CID 55769960) is 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is IASXVKDGPZMMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-2-19-15(22)11-5-3-4-10(6-11)8-21-16(23)12-7-13(17)14(18)20-9-12/h3-7,9H,2,8H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55769960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).