3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide

C12H19N5O — CID 63304442

IUPAC3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
SMILESCCCN(c1nccnc1C(N)=O)C1CCNC1
InChIInChI=1S/C12H19N5O/c1-2-7-17(9-3-4-14-8-9)12-10(11(13)18)15-5-6-16-12/h5-6,9,14H,2-4,7-8H2,1H3,(H2,13,18)
InChIKeyJAKRQWUCIMGFEM-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.15
Rot. Bonds5

About 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide

3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 63304442) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
PubChem CID63304442
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
SMILESCCCN(c1nccnc1C(N)=O)C1CCNC1
InChIInChI=1S/C12H19N5O/c1-2-7-17(9-3-4-14-8-9)12-10(11(13)18)15-5-6-16-12/h5-6,9,14H,2-4,7-8H2,1H3,(H2,13,18)
InChIKeyJAKRQWUCIMGFEM-UHFFFAOYSA-N
XLogP0.15
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136989336
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287
3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304260
N-(azetidin-3-yl)-3-methyl-N-propylpyrazin-2-amine
CID 83062619
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
4,6-dimethyl-2-[piperidin-3-yl(propyl)amino]pyridine-3-carboxamide
CID 63636141
3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile
CID 63636497
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
CID 61232537

Frequently Asked Questions

What is the IUPAC name of 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide (CID 63304442) is 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide is CCCN(c1nccnc1C(N)=O)C1CCNC1.
What is the InChIKey of 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is JAKRQWUCIMGFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-7-17(9-3-4-14-8-9)12-10(11(13)18)15-5-6-16-12/h5-6,9,14H,2-4,7-8H2,1H3,(H2,13,18).
What are the key properties of 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide?
3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 63304442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).