N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide

C15H22N4O — CID 142276083

IUPACN-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCNCCCC(C)NC(=O)c1cn2cccc2cn1
InChIInChI=1S/C15H22N4O/c1-3-16-8-4-6-12(2)18-15(20)14-11-19-9-5-7-13(19)10-17-14/h5,7,9-12,16H,3-4,6,8H2,1-2H3,(H,18,20)
InChIKeyMYIXQIIRRRZQAD-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.84
Rot. Bonds7

About N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide

N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 142276083) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID142276083
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCNCCCC(C)NC(=O)c1cn2cccc2cn1
InChIInChI=1S/C15H22N4O/c1-3-16-8-4-6-12(2)18-15(20)14-11-19-9-5-7-13(19)10-17-14/h5,7,9-12,16H,3-4,6,8H2,1-2H3,(H,18,20)
InChIKeyMYIXQIIRRRZQAD-UHFFFAOYSA-N
XLogP1.84
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 51969987
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
N-octan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 104640604
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
5-(ethylamino)-N-hexan-2-ylpyrazine-2-carboxamide
CID 107375376
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-(4-chloropentan-2-yl)-1-methylimidazole-4-carboxamide
CID 107975233
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 142276083) is N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide is CCNCCCC(C)NC(=O)c1cn2cccc2cn1.
What is the InChIKey of N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is MYIXQIIRRRZQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-16-8-4-6-12(2)18-15(20)14-11-19-9-5-7-13(19)10-17-14/h5,7,9-12,16H,3-4,6,8H2,1-2H3,(H,18,20).
What are the key properties of N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylamino)pentan-2-yl]pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 142276083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).