4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide

C21H26N4O2 — CID 50974890

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide
SMILESCOc1ncccc1NC(=O)c1ccc(CN2CCN3CCCC3C2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-21-19(5-2-10-22-21)23-20(26)17-8-6-16(7-9-17)14-24-12-13-25-11-3-4-18(25)15-24/h2,5-10,18H,3-4,11-15H2,1H3,(H,23,26)
InChIKeyGGBMCTMPZDKWPL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.62
Rot. Bonds5

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide (PubChem CID 50974890) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide
PubChem CID50974890
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide
SMILESCOc1ncccc1NC(=O)c1ccc(CN2CCN3CCCC3C2)cc1
InChIInChI=1S/C21H26N4O2/c1-27-21-19(5-2-10-22-21)23-20(26)17-8-6-16(7-9-17)14-24-12-13-25-11-3-4-18(25)15-24/h2,5-10,18H,3-4,11-15H2,1H3,(H,23,26)
InChIKeyGGBMCTMPZDKWPL-UHFFFAOYSA-N
XLogP2.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide with MolForge

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Related Compounds

2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]acetic acid
CID 105346116
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
CID 95299028
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 22194042
(8aR)-2-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99933028
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
N-(4-chloro-2,5-dimethoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38101127
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55763737
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide (CID 50974890) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide is COc1ncccc1NC(=O)c1ccc(CN2CCN3CCCC3C2)cc1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide?
The InChIKey is GGBMCTMPZDKWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-21-19(5-2-10-22-21)23-20(26)17-8-6-16(7-9-17)14-24-12-13-25-11-3-4-18(25)15-24/h2,5-10,18H,3-4,11-15H2,1H3,(H,23,26).
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-(2-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 50974890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).