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

C18H20N6O — CID 94800245

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN(C)[C@@H](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)/t16-/m0/s1
InChIKeyXCFPEBBPHBBEHZ-INIZCTEOSA-N
MW336.40 g/mol
LogP1.70
Rot. Bonds6

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

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 94800245) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID94800245
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCN(C)[C@@H](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)/t16-/m0/s1
InChIKeyXCFPEBBPHBBEHZ-INIZCTEOSA-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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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479462
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94818182
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526029
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 109388013
N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091733
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 94800245) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CN(C)[C@@H](CNC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is XCFPEBBPHBBEHZ-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(2R)-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-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 94800245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).