(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H24N4O2 — CID 95189619

IUPAC(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)N1CCn2cccc2[C@@H]1C
InChIInChI=1S/C18H24N4O2/c1-12-10-13(2)20-17(24-4)15(12)11-19-18(23)22-9-8-21-7-5-6-16(21)14(22)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,23)/t14-/m0/s1
InChIKeyOGBIEBGVRGKQJP-AWEZNQCLSA-N
MW328.42 g/mol
LogP2.79
Rot. Bonds3

About (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95189619) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID95189619
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)N1CCn2cccc2[C@@H]1C
InChIInChI=1S/C18H24N4O2/c1-12-10-13(2)20-17(24-4)15(12)11-19-18(23)22-9-8-21-7-5-6-16(21)14(22)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,23)/t14-/m0/s1
InChIKeyOGBIEBGVRGKQJP-AWEZNQCLSA-N
XLogP2.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 128942253
N-(4-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965018
(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124621003
(1R)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627266
(1S)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627265
(1-methoxyisoquinolin-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95151150
ethyl 4-[[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 92711961
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
1-methyl-N-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 166180094
1-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132762083
(1R)-N-(5-chloro-2-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711934
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 95189619) is (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1nc(C)cc(C)c1CNC(=O)N1CCn2cccc2[C@@H]1C.
What is the InChIKey of (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OGBIEBGVRGKQJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-10-13(2)20-17(24-4)15(12)11-19-18(23)22-9-8-21-7-5-6-16(21)14(22)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95189619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).