N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H17N5O2 — CID 94571557

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H17N5O2/c1-13(17-9-14-5-3-4-6-16(14)26-17)23(2)19(25)15-7-8-21-18(10-15)24-12-20-11-22-24/h3-13H,1-2H3/t13-/m1/s1
InChIKeyFFPUPTZCZZPHFS-CYBMUJFWSA-N
MW347.38 g/mol
LogP3.24
Rot. Bonds4

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 94571557) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID94571557
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H17N5O2/c1-13(17-9-14-5-3-4-6-16(14)26-17)23(2)19(25)15-7-8-21-18(10-15)24-12-20-11-22-24/h3-13H,1-2H3/t13-/m1/s1
InChIKeyFFPUPTZCZZPHFS-CYBMUJFWSA-N
XLogP3.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide
CID 51201676
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479462
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-(2-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 47070401

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 94571557) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is FFPUPTZCZZPHFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(17-9-14-5-3-4-6-16(14)26-17)23(2)19(25)15-7-8-21-18(10-15)24-12-20-11-22-24/h3-13H,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 94571557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).