N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C17H17N5O — CID 51102624

IUPACN-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccnc(-n3cncn3)c2)c1
InChIInChI=1S/C17H17N5O/c1-13-3-2-4-14(9-13)5-7-20-17(23)15-6-8-19-16(10-15)22-12-18-11-21-22/h2-4,6,8-12H,5,7H2,1H3,(H,20,23)
InChIKeyYCKUZWGGMDCRDD-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51102624) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51102624
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccnc(-n3cncn3)c2)c1
InChIInChI=1S/C17H17N5O/c1-13-3-2-4-14(9-13)5-7-20-17(23)15-6-8-19-16(10-15)22-12-18-11-21-22/h2-4,6,8-12H,5,7H2,1H3,(H,20,23)
InChIKeyYCKUZWGGMDCRDD-UHFFFAOYSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 47070401
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
2-ethoxy-N-[2-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 86967702
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479462
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94818182
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51102624) is N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is Cc1cccc(CCNC(=O)c2ccnc(-n3cncn3)c2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is YCKUZWGGMDCRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13-3-2-4-14(9-13)5-7-20-17(23)15-6-8-19-16(10-15)22-12-18-11-21-22/h2-4,6,8-12H,5,7H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51102624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).