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

C11H16N4O2 — CID 43596295

IUPACN-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCNC1CC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H16N4O2/c16-10-7-14-9(6-15-10)11(17)13-5-1-4-12-8-2-3-8/h6-8,12H,1-5H2,(H,13,17)(H,15,16)
InChIKeyMLKYJXOZKIISLG-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.36
Rot. Bonds6

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

N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 43596295) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID43596295
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCCCNC1CC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H16N4O2/c16-10-7-14-9(6-15-10)11(17)13-5-1-4-12-8-2-3-8/h6-8,12H,1-5H2,(H,13,17)(H,15,16)
InChIKeyMLKYJXOZKIISLG-UHFFFAOYSA-N
XLogP-0.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.36
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

N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 114383349
N-(2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 90081940
6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 108474666
N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 118264842
(Z)-2-(ethylideneamino)-3-(methylideneamino)-N-pentan-3-ylprop-2-enamide
CID 166980873
ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide
CID 167447575
N-butyl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999720
6-oxo-N-propan-2-yl-1H-pyrazine-2-carboxamide
CID 172999875
N-butan-2-yl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999904
6-oxo-N-propyl-1H-pyrazine-2-carboxamide
CID 173000031
5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one
CID 28788637
6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide
CID 43167653

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 43596295) is N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide is O=C(NCCCNC1CC1)c1c[nH]c(=O)cn1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is MLKYJXOZKIISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10-7-14-9(6-15-10)11(17)13-5-1-4-12-8-2-3-8/h6-8,12H,1-5H2,(H,13,17)(H,15,16).
What are the key properties of N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43596295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).