N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C20H18ClN3O — CID 109155684

IUPACN-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C20H18ClN3O/c1-14-6-2-3-7-15(14)12-22-19-11-10-16(13-23-19)20(25)24-18-9-5-4-8-17(18)21/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyRZUWJKMHWVPXRD-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.91
Rot. Bonds5

About N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109155684) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109155684
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C20H18ClN3O/c1-14-6-2-3-7-15(14)12-22-19-11-10-16(13-23-19)20(25)24-18-9-5-4-8-17(18)21/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyRZUWJKMHWVPXRD-UHFFFAOYSA-N
XLogP4.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109155684) is N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccccc1CNc1ccc(C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is RZUWJKMHWVPXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-6-2-3-7-15(14)12-22-19-11-10-16(13-23-19)20(25)24-18-9-5-4-8-17(18)21/h2-11,13H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109155684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).