N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide

C19H15N5O2S — CID 155515784

IUPACN-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-n3cc(-c4cccs4)nn3)cc2)ccn1
InChIInChI=1S/C19H15N5O2S/c1-20-19(25)16-11-15(8-9-21-16)26-14-6-4-13(5-7-14)24-12-17(22-23-24)18-3-2-10-27-18/h2-12H,1H3,(H,20,25)
InChIKeyYAAPKIXNLLDELD-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.54
Rot. Bonds5

About N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide (PubChem CID 155515784) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide
PubChem CID155515784
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-n3cc(-c4cccs4)nn3)cc2)ccn1
InChIInChI=1S/C19H15N5O2S/c1-20-19(25)16-11-15(8-9-21-16)26-14-6-4-13(5-7-14)24-12-17(22-23-24)18-3-2-10-27-18/h2-12H,1H3,(H,20,25)
InChIKeyYAAPKIXNLLDELD-UHFFFAOYSA-N
XLogP3.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 159945449
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 168541218
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide (CID 155515784) is N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-n3cc(-c4cccs4)nn3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide?
The InChIKey is YAAPKIXNLLDELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-20-19(25)16-11-15(8-9-21-16)26-14-6-4-13(5-7-14)24-12-17(22-23-24)18-3-2-10-27-18/h2-12H,1H3,(H,20,25).
What are the key properties of N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(4-thiophen-2-yltriazol-1-yl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 155515784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).