N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide

C21H22N4O3 — CID 167970581

IUPACN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2ccn3c2CNCC3)cn1
InChIInChI=1S/C21H22N4O3/c1-14-3-5-18(19(11-14)27-2)28-20-6-4-15(12-23-20)24-21(26)16-7-9-25-10-8-22-13-17(16)25/h3-7,9,11-12,22H,8,10,13H2,1-2H3,(H,24,26)
InChIKeyGSVUBUQPFGELGE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.35
Rot. Bonds5

About N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide

N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 167970581) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID167970581
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2ccn3c2CNCC3)cn1
InChIInChI=1S/C21H22N4O3/c1-14-3-5-18(19(11-14)27-2)28-20-6-4-15(12-23-20)24-21(26)16-7-9-25-10-8-22-13-17(16)25/h3-7,9,11-12,22H,8,10,13H2,1-2H3,(H,24,26)
InChIKeyGSVUBUQPFGELGE-UHFFFAOYSA-N
XLogP3.35
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
(2R,3S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939327
ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55677621
2-(4-fluorophenyl)sulfonyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]propanamide
CID 55930463
1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55679313
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166204034
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55743504

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide (CID 167970581) is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide is COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccn3c2CNCC3)cn1.
What is the InChIKey of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is GSVUBUQPFGELGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-3-5-18(19(11-14)27-2)28-20-6-4-15(12-23-20)24-21(26)16-7-9-25-10-8-22-13-17(16)25/h3-7,9,11-12,22H,8,10,13H2,1-2H3,(H,24,26).
What are the key properties of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 167970581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).