N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide

C10H14N4O2 — CID 62662773

IUPACN-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCCNC1CC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H14N4O2/c15-9-6-13-8(5-14-9)10(16)12-4-3-11-7-1-2-7/h5-7,11H,1-4H2,(H,12,16)(H,14,15)
InChIKeyLIGZWXKOSPFALB-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.75
Rot. Bonds5

About N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 62662773) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID62662773
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCCNC1CC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H14N4O2/c15-9-6-13-8(5-14-9)10(16)12-4-3-11-7-1-2-7/h5-7,11H,1-4H2,(H,12,16)(H,14,15)
InChIKeyLIGZWXKOSPFALB-UHFFFAOYSA-N
XLogP-0.75
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide
CID 60770819
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
CID 43596390
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 113283330
N-[2-(cyclopropylamino)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 55100584
2-hydroxy-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 66165220
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 113283485
6-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrazine-3-carboxamide
CID 118792476
N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 66109460
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 65124084
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride
CID 119619715

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 62662773) is N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide is O=C(NCCNC1CC1)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is LIGZWXKOSPFALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9-6-13-8(5-14-9)10(16)12-4-3-11-7-1-2-7/h5-7,11H,1-4H2,(H,12,16)(H,14,15).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 62662773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).