N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide

C13H21N5O — CID 56722828

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1cnc(CN(C)C(=O)C23CNCC2CNC3)[nH]1
InChIInChI=1S/C13H21N5O/c1-9-3-16-11(17-9)6-18(2)12(19)13-7-14-4-10(13)5-15-8-13/h3,10,14-15H,4-8H2,1-2H3,(H,16,17)
InChIKeyXVZQEYRLZGDKMS-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.51
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 56722828) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID56722828
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1cnc(CN(C)C(=O)C23CNCC2CNC3)[nH]1
InChIInChI=1S/C13H21N5O/c1-9-3-16-11(17-9)6-18(2)12(19)13-7-14-4-10(13)5-15-8-13/h3,10,14-15H,4-8H2,1-2H3,(H,16,17)
InChIKeyXVZQEYRLZGDKMS-UHFFFAOYSA-N
XLogP-0.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 56722828) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide is Cc1cnc(CN(C)C(=O)C23CNCC2CNC3)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is XVZQEYRLZGDKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-3-16-11(17-9)6-18(2)12(19)13-7-14-4-10(13)5-15-8-13/h3,10,14-15H,4-8H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 263.34 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 56722828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).