N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide

C21H20N6O — CID 163746768

IUPACN-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1ccnc(NC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C21H20N6O/c1-14(11-20-26-23-13-27(20)2)16-9-10-22-19(12-16)25-21(28)18-8-7-15-5-3-4-6-17(15)24-18/h3-10,12-14H,11H2,1-2H3,(H,22,25,28)/t14-/m1/s1
InChIKeyLMNPUGLGAADZNG-CQSZACIVSA-N
MW372.43 g/mol
LogP3.36
Rot. Bonds5

About N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide

N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide (PubChem CID 163746768) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide
PubChem CID163746768
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1ccnc(NC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C21H20N6O/c1-14(11-20-26-23-13-27(20)2)16-9-10-22-19(12-16)25-21(28)18-8-7-15-5-3-4-6-17(15)24-18/h3-10,12-14H,11H2,1-2H3,(H,22,25,28)/t14-/m1/s1
InChIKeyLMNPUGLGAADZNG-CQSZACIVSA-N
XLogP3.36
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide (CID 163746768) is N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide is C[C@H](Cc1nncn1C)c1ccnc(NC(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide?
The InChIKey is LMNPUGLGAADZNG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14(11-20-26-23-13-27(20)2)16-9-10-22-19(12-16)25-21(28)18-8-7-15-5-3-4-6-17(15)24-18/h3-10,12-14H,11H2,1-2H3,(H,22,25,28)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide?
N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]quinoline-2-carboxamide is sourced from PubChem (CID 163746768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).