N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C18H20N6O — CID 51091718

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN(C)C(CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1
InChIInChI=1S/C18H20N6O/c1-23(2)16(14-6-4-3-5-7-14)11-21-18(25)15-8-9-20-17(10-15)24-13-19-12-22-24/h3-10,12-13,16H,11H2,1-2H3,(H,21,25)
InChIKeyXCFPEBBPHBBEHZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51091718) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51091718
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN(C)C(CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1
InChIInChI=1S/C18H20N6O/c1-23(2)16(14-6-4-3-5-7-14)11-21-18(25)15-8-9-20-17(10-15)24-13-19-12-22-24/h3-10,12-13,16H,11H2,1-2H3,(H,21,25)
InChIKeyXCFPEBBPHBBEHZ-UHFFFAOYSA-N
XLogP1.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51091718) is N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CN(C)C(CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is XCFPEBBPHBBEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(2)16(14-6-4-3-5-7-14)11-21-18(25)15-8-9-20-17(10-15)24-13-19-12-22-24/h3-10,12-13,16H,11H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51091718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).