N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H16N6O2 — CID 95154221

IUPACN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nnc2n1C[C@@H](NC(=O)c1cnc3ccccn3c1=O)CC2
InChIInChI=1S/C16H16N6O2/c1-10-19-20-14-6-5-11(9-22(10)14)18-15(23)12-8-17-13-4-2-3-7-21(13)16(12)24/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,23)/t11-/m0/s1
InChIKeySUHOEGWIVUDWDH-NSHDSACASA-N
MW324.34 g/mol
LogP0.34
Rot. Bonds2

About N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 95154221) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID95154221
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1nnc2n1C[C@@H](NC(=O)c1cnc3ccccn3c1=O)CC2
InChIInChI=1S/C16H16N6O2/c1-10-19-20-14-6-5-11(9-22(10)14)18-15(23)12-8-17-13-4-2-3-7-21(13)16(12)24/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,23)/t11-/m0/s1
InChIKeySUHOEGWIVUDWDH-NSHDSACASA-N
XLogP0.34
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 95154221) is N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1nnc2n1C[C@@H](NC(=O)c1cnc3ccccn3c1=O)CC2.
What is the InChIKey of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SUHOEGWIVUDWDH-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-19-20-14-6-5-11(9-22(10)14)18-15(23)12-8-17-13-4-2-3-7-21(13)16(12)24/h2-4,7-8,11H,5-6,9H2,1H3,(H,18,23)/t11-/m0/s1.
What are the key properties of N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95154221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).