N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

C17H23N5O3 — CID 124615685

IUPACN-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCOCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(C)C)[nH]c(=O)c1)CC2
InChIInChI=1S/C17H23N5O3/c1-10(2)13-6-11(7-16(23)19-13)17(24)18-12-4-5-15-20-14(9-25-3)21-22(15)8-12/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,18,24)(H,19,23)/t12-/m1/s1
InChIKeyHFKUZUAUFQYURC-GFCCVEGCSA-N
MW345.40 g/mol
LogP0.98
Rot. Bonds5

About N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (PubChem CID 124615685) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
PubChem CID124615685
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCOCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(C)C)[nH]c(=O)c1)CC2
InChIInChI=1S/C17H23N5O3/c1-10(2)13-6-11(7-16(23)19-13)17(24)18-12-4-5-15-20-14(9-25-3)21-22(15)8-12/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,18,24)(H,19,23)/t12-/m1/s1
InChIKeyHFKUZUAUFQYURC-GFCCVEGCSA-N
XLogP0.98
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (CID 124615685) is N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is COCc1nc2n(n1)C[C@H](NC(=O)c1cc(C(C)C)[nH]c(=O)c1)CC2.
What is the InChIKey of N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The InChIKey is HFKUZUAUFQYURC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10(2)13-6-11(7-16(23)19-13)17(24)18-12-4-5-15-20-14(9-25-3)21-22(15)8-12/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,18,24)(H,19,23)/t12-/m1/s1.
What are the key properties of N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 124615685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).