N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide

C17H26N4O2 — CID 110153467

IUPACN-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)cn1
InChIInChI=1S/C17H26N4O2/c1-11-8-19-13(10-18-11)16(23)20-9-12-7-17(2)14(21-12)5-3-4-6-15(17)22/h8,10,12,14-15,21-22H,3-7,9H2,1-2H3,(H,20,23)/t12-,14-,15+,17-/m1/s1
InChIKeyZQSVVVXEECDTOA-JJAZEVLHSA-N
MW318.42 g/mol
LogP1.19
Rot. Bonds3

About N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide

N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 110153467) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID110153467
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)cn1
InChIInChI=1S/C17H26N4O2/c1-11-8-19-13(10-18-11)16(23)20-9-12-7-17(2)14(21-12)5-3-4-6-15(17)22/h8,10,12,14-15,21-22H,3-7,9H2,1-2H3,(H,20,23)/t12-,14-,15+,17-/m1/s1
InChIKeyZQSVVVXEECDTOA-JJAZEVLHSA-N
XLogP1.19
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide with MolForge

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Related Compounds

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CID 4963664
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
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1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
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5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 110153467) is N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2)cn1.
What is the InChIKey of N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ZQSVVVXEECDTOA-JJAZEVLHSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11-8-19-13(10-18-11)16(23)20-9-12-7-17(2)14(21-12)5-3-4-6-15(17)22/h8,10,12,14-15,21-22H,3-7,9H2,1-2H3,(H,20,23)/t12-,14-,15+,17-/m1/s1.
What are the key properties of N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3aR,4S,8aR)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrol-2-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 110153467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).