N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide

C19H15Cl2N3O — CID 109242174

IUPACN-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1
InChIInChI=1S/C19H15Cl2N3O/c1-12-2-4-16(5-3-12)23-18-6-13(10-22-11-18)19(25)24-17-8-14(20)7-15(21)9-17/h2-11,23H,1H3,(H,24,25)
InChIKeyMOVDORZBLSVIFM-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.69
Rot. Bonds4

About N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide

N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109242174) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109242174
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC NameN-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1
InChIInChI=1S/C19H15Cl2N3O/c1-12-2-4-16(5-3-12)23-18-6-13(10-22-11-18)19(25)24-17-8-14(20)7-15(21)9-17/h2-11,23H,1H3,(H,24,25)
InChIKeyMOVDORZBLSVIFM-UHFFFAOYSA-N
XLogP5.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide (CID 109242174) is N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is MOVDORZBLSVIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c1-12-2-4-16(5-3-12)23-18-6-13(10-22-11-18)19(25)24-17-8-14(20)7-15(21)9-17/h2-11,23H,1H3,(H,24,25).
What are the key properties of N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).