N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide

C20H18N6O2 — CID 135448573

IUPACN-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(=O)[nH]c2nc(-c3cccnc3)nn12)c1ccccc1
InChIInChI=1S/C20H18N6O2/c1-2-15(13-7-4-3-5-8-13)19(28)22-16-11-17(27)23-20-24-18(25-26(16)20)14-9-6-10-21-12-14/h3-12,15H,2H2,1H3,(H,22,28)(H,23,24,25,27)
InChIKeyLPTNGRXGNNJBTB-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.61
Rot. Bonds5

About N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide

N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide (PubChem CID 135448573) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide
PubChem CID135448573
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(=O)[nH]c2nc(-c3cccnc3)nn12)c1ccccc1
InChIInChI=1S/C20H18N6O2/c1-2-15(13-7-4-3-5-8-13)19(28)22-16-11-17(27)23-20-24-18(25-26(16)20)14-9-6-10-21-12-14/h3-12,15H,2H2,1H3,(H,22,28)(H,23,24,25,27)
InChIKeyLPTNGRXGNNJBTB-UHFFFAOYSA-N
XLogP2.61
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide?
The IUPAC name of N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide (CID 135448573) is N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide?
The canonical SMILES for N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide is CCC(C(=O)Nc1cc(=O)[nH]c2nc(-c3cccnc3)nn12)c1ccccc1.
What is the InChIKey of N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide?
The InChIKey is LPTNGRXGNNJBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-2-15(13-7-4-3-5-8-13)19(28)22-16-11-17(27)23-20-24-18(25-26(16)20)14-9-6-10-21-12-14/h3-12,15H,2H2,1H3,(H,22,28)(H,23,24,25,27).
What are the key properties of N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide?
N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide has a molecular weight of 374.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide is sourced from PubChem (CID 135448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).