N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H20N6O — CID 94506490

IUPACN-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H20N6O/c26-19(16-6-8-21-18(10-16)25-14-20-13-23-25)22-11-15-7-9-24(12-15)17-4-2-1-3-5-17/h1-6,8,10,13-15H,7,9,11-12H2,(H,22,26)/t15-/m1/s1
InChIKeyHSQXPPGIACETFN-OAHLLOKOSA-N
MW348.41 g/mol
LogP1.92
Rot. Bonds5

About N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 94506490) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID94506490
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H20N6O/c26-19(16-6-8-21-18(10-16)25-14-20-13-23-25)22-11-15-7-9-24(12-15)17-4-2-1-3-5-17/h1-6,8,10,13-15H,7,9,11-12H2,(H,22,26)/t15-/m1/s1
InChIKeyHSQXPPGIACETFN-OAHLLOKOSA-N
XLogP1.92
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815804
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815803
N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091886
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
CID 47055371
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
CID 43071245
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 94506490) is N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is HSQXPPGIACETFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(16-6-8-21-18(10-16)25-14-20-13-23-25)22-11-15-7-9-24(12-15)17-4-2-1-3-5-17/h1-6,8,10,13-15H,7,9,11-12H2,(H,22,26)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 94506490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).