N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C14H20N4O — CID 102893002

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCc1cnc(CNC(=O)C2NCC3CCCC32)cn1
InChIInChI=1S/C14H20N4O/c1-9-5-16-11(7-15-9)8-18-14(19)13-12-4-2-3-10(12)6-17-13/h5,7,10,12-13,17H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyCFDQDIDUJPOAJD-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.79
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893002) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893002
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCc1cnc(CNC(=O)C2NCC3CCCC32)cn1
InChIInChI=1S/C14H20N4O/c1-9-5-16-11(7-15-9)8-18-14(19)13-12-4-2-3-10(12)6-17-13/h5,7,10,12-13,17H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyCFDQDIDUJPOAJD-UHFFFAOYSA-N
XLogP0.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890750
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893553
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-(furan-3-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893843
N-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890133
N-(2,6-dimethyl-3-pyridinyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893359
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 114168038
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82908850
N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891385
3-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 64624211
(5-methylpyrazin-2-yl)methylurea
CID 62845946
N-(1,3-benzodioxol-4-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892288

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893002) is N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is Cc1cnc(CNC(=O)C2NCC3CCCC32)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is CFDQDIDUJPOAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-5-16-11(7-15-9)8-18-14(19)13-12-4-2-3-10(12)6-17-13/h5,7,10,12-13,17H,2-4,6,8H2,1H3,(H,18,19).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).