3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide

C22H19N5O — CID 146926080

IUPAC3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2cc(C3=NN=NC3)ccc2C)cc1
InChIInChI=1S/C22H19N5O/c1-14-3-4-17(21-13-24-27-26-21)11-20(14)16-5-7-18(8-6-16)25-22(28)19-9-10-23-12-15(19)2/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyAECKJCCTGAORBJ-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.79
Rot. Bonds4

About 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide

3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide (PubChem CID 146926080) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide
PubChem CID146926080
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1ccc(-c2cc(C3=NN=NC3)ccc2C)cc1
InChIInChI=1S/C22H19N5O/c1-14-3-4-17(21-13-24-27-26-21)11-20(14)16-5-7-18(8-6-16)25-22(28)19-9-10-23-12-15(19)2/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyAECKJCCTGAORBJ-UHFFFAOYSA-N
XLogP4.79
TPSA79.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-4-yl)phenyl]phenyl]pyridine-4-carboxamide
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N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid
CID 160525731
3-[4-(dimethylamino)-3-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]phenoxy]propanoic acid
CID 11750484
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
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N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide
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N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789421
N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide
CID 121408612
N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide (CID 146926080) is 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccc(-c2cc(C3=NN=NC3)ccc2C)cc1.
What is the InChIKey of 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide?
The InChIKey is AECKJCCTGAORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-3-4-17(21-13-24-27-26-21)11-20(14)16-5-7-18(8-6-16)25-22(28)19-9-10-23-12-15(19)2/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide?
3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 146926080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).