4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide

C13H17N5O — CID 62847324

IUPAC4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-8-10(14)4-12(18)13(19)17-7-11-6-15-9(2)5-16-11/h4-6,8H,3,7,14H2,1-2H3,(H,17,19)
InChIKeyAAMXOOUDPBAPEM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.12
Rot. Bonds4

About 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 62847324) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID62847324
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-8-10(14)4-12(18)13(19)17-7-11-6-15-9(2)5-16-11/h4-6,8H,3,7,14H2,1-2H3,(H,17,19)
InChIKeyAAMXOOUDPBAPEM-UHFFFAOYSA-N
XLogP1.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-[(3-methylphenyl)methyl]pyrrole-2-carboxamide
CID 54944283
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841400
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 55121841
2-(5-amino-2-oxo-1-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62848412
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
(5-methylpyrazin-2-yl)methylurea
CID 62845946
4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61401810
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide (CID 62847324) is 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCc1cnc(C)cn1.
What is the InChIKey of 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is AAMXOOUDPBAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-8-10(14)4-12(18)13(19)17-7-11-6-15-9(2)5-16-11/h4-6,8H,3,7,14H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 62847324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).