3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide

C17H24N6O2 — CID 136714184

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
SMILESCCc1nnc2n1C[C@H](NC(=O)CCc1c(C)nc(C)[nH]c1=O)CC2
InChIInChI=1S/C17H24N6O2/c1-4-14-21-22-15-7-5-12(9-23(14)15)20-16(24)8-6-13-10(2)18-11(3)19-17(13)25/h12H,4-9H2,1-3H3,(H,20,24)(H,18,19,25)/t12-/m1/s1
InChIKeyXVSRDFKZWKXRAC-GFCCVEGCSA-N
MW344.42 g/mol
LogP0.60
Rot. Bonds5

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide (PubChem CID 136714184) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
PubChem CID136714184
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
SMILESCCc1nnc2n1C[C@H](NC(=O)CCc1c(C)nc(C)[nH]c1=O)CC2
InChIInChI=1S/C17H24N6O2/c1-4-14-21-22-15-7-5-12(9-23(14)15)20-16(24)8-6-13-10(2)18-11(3)19-17(13)25/h12H,4-9H2,1-3H3,(H,20,24)(H,18,19,25)/t12-/m1/s1
InChIKeyXVSRDFKZWKXRAC-GFCCVEGCSA-N
XLogP0.60
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide (CID 136714184) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide is CCc1nnc2n1C[C@H](NC(=O)CCc1c(C)nc(C)[nH]c1=O)CC2.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
The InChIKey is XVSRDFKZWKXRAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-14-21-22-15-7-5-12(9-23(14)15)20-16(24)8-6-13-10(2)18-11(3)19-17(13)25/h12H,4-9H2,1-3H3,(H,20,24)(H,18,19,25)/t12-/m1/s1.
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide is sourced from PubChem (CID 136714184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).