N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

C21H20ClN3O — CID 109188558

IUPACN-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nc2)c1
InChIInChI=1S/C21H20ClN3O/c1-14-4-3-5-16(10-14)12-23-18-8-9-20(24-13-18)21(26)25-17-7-6-15(2)19(22)11-17/h3-11,13,23H,12H2,1-2H3,(H,25,26)
InChIKeyYXLYBOYTRSJLEW-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.22
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109188558) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109188558
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nc2)c1
InChIInChI=1S/C21H20ClN3O/c1-14-4-3-5-16(10-14)12-23-18-8-9-20(24-13-18)21(26)25-17-7-6-15(2)19(22)11-17/h3-11,13,23H,12H2,1-2H3,(H,25,26)
InChIKeyYXLYBOYTRSJLEW-UHFFFAOYSA-N
XLogP5.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
N-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188556
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188590
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109188570
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109188558) is N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1cccc(CNc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)nc2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is YXLYBOYTRSJLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-4-3-5-16(10-14)12-23-18-8-9-20(24-13-18)21(26)25-17-7-6-15(2)19(22)11-17/h3-11,13,23H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109188558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).