1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide

C15H20N4O — CID 110197160

IUPAC1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCN1Cc2cccn2CC1CNC(=O)c1cccn1C
InChIInChI=1S/C15H20N4O/c1-17-7-4-6-14(17)15(20)16-9-13-11-19-8-3-5-12(19)10-18(13)2/h3-8,13H,9-11H2,1-2H3,(H,16,20)
InChIKeyFPCYHMOGYMGLDU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.07
Rot. Bonds3

About 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide

1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 110197160) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID110197160
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCN1Cc2cccn2CC1CNC(=O)c1cccn1C
InChIInChI=1S/C15H20N4O/c1-17-7-4-6-14(17)15(20)16-9-13-11-19-8-3-5-12(19)10-18(13)2/h3-8,13H,9-11H2,1-2H3,(H,16,20)
InChIKeyFPCYHMOGYMGLDU-UHFFFAOYSA-N
XLogP1.07
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide (CID 110197160) is 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide is CN1Cc2cccn2CC1CNC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is FPCYHMOGYMGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17-7-4-6-14(17)15(20)16-9-13-11-19-8-3-5-12(19)10-18(13)2/h3-8,13H,9-11H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide?
1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 110197160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).