N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide

C23H20N6O2 — CID 55633487

IUPACN-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H20N6O2/c1-16(17-7-9-21(10-8-17)29-15-25-14-26-29)27-22(30)18-4-2-6-20(12-18)28-23(31)19-5-3-11-24-13-19/h2-16H,1H3,(H,27,30)(H,28,31)
InChIKeyJNYSCSUJAJFSTK-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.41
Rot. Bonds6

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

N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55633487) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55633487
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H20N6O2/c1-16(17-7-9-21(10-8-17)29-15-25-14-26-29)27-22(30)18-4-2-6-20(12-18)28-23(31)19-5-3-11-24-13-19/h2-16H,1H3,(H,27,30)(H,28,31)
InChIKeyJNYSCSUJAJFSTK-UHFFFAOYSA-N
XLogP3.41
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
3-(2,2-dimethylpropanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37120344
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46411199
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 41138635
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
3-[(3-methylphenyl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 134037268

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide (CID 55633487) is N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide is CC(NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JNYSCSUJAJFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-16(17-7-9-21(10-8-17)29-15-25-14-26-29)27-22(30)18-4-2-6-20(12-18)28-23(31)19-5-3-11-24-13-19/h2-16H,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55633487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).