N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide

C19H15Cl2N3O — CID 109242360

IUPACN-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H15Cl2N3O/c1-24(15-5-3-2-4-6-15)16-9-13(11-22-12-16)19(25)23-18-10-14(20)7-8-17(18)21/h2-12H,1H3,(H,23,25)
InChIKeyKMTOUBJEJHBYDB-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.41
Rot. Bonds4

About N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide

N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 109242360) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide
PubChem CID109242360
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC NameN-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H15Cl2N3O/c1-24(15-5-3-2-4-6-15)16-9-13(11-22-12-16)19(25)23-18-10-14(20)7-8-17(18)21/h2-12H,1H3,(H,23,25)
InChIKeyKMTOUBJEJHBYDB-UHFFFAOYSA-N
XLogP5.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide (CID 109242360) is N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide is CN(c1ccccc1)c1cncc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is KMTOUBJEJHBYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c1-24(15-5-3-2-4-6-15)16-9-13(11-22-12-16)19(25)23-18-10-14(20)7-8-17(18)21/h2-12H,1H3,(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide?
N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).