(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H20N6O2 — CID 136833032

IUPAC(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCc4nnc(C)n4C3)c2)n1
InChIInChI=1S/C19H20N6O2/c1-11-8-17(26)22-18(20-11)13-4-3-5-15(9-13)21-19(27)14-6-7-16-24-23-12(2)25(16)10-14/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,21,27)(H,20,22,26)/t14-/m0/s1
InChIKeyOAGLTCSWWPHZNT-AWEZNQCLSA-N
MW364.41 g/mol
LogP1.85
Rot. Bonds3

About (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 136833032) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID136833032
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCc4nnc(C)n4C3)c2)n1
InChIInChI=1S/C19H20N6O2/c1-11-8-17(26)22-18(20-11)13-4-3-5-15(9-13)21-19(27)14-6-7-16-24-23-12(2)25(16)10-14/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,21,27)(H,20,22,26)/t14-/m0/s1
InChIKeyOAGLTCSWWPHZNT-AWEZNQCLSA-N
XLogP1.85
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
1-(4-bromophenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-4-carboxamide
CID 136876982
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-3-carboxamide
CID 137168988
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136804360
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 137028902
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
CID 154869493
1-(2-aminoethyl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]triazole-4-carboxamide
CID 166321128
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179

Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 136833032) is (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCc4nnc(C)n4C3)c2)n1.
What is the InChIKey of (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is OAGLTCSWWPHZNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-8-17(26)22-18(20-11)13-4-3-5-15(9-13)21-19(27)14-6-7-16-24-23-12(2)25(16)10-14/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,21,27)(H,20,22,26)/t14-/m0/s1.
What are the key properties of (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 136833032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).