3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide

C11H13N5O — CID 79393897

IUPAC3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide
SMILESN#Cc1nccnc1NCCC(=O)NC1CC1
InChIInChI=1S/C11H13N5O/c12-7-9-11(15-6-5-13-9)14-4-3-10(17)16-8-1-2-8/h5-6,8H,1-4H2,(H,14,15)(H,16,17)
InChIKeyTZPBZMCCPFOJAJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.43
Rot. Bonds5

About 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide

3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide (PubChem CID 79393897) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide
PubChem CID79393897
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide
SMILESN#Cc1nccnc1NCCC(=O)NC1CC1
InChIInChI=1S/C11H13N5O/c12-7-9-11(15-6-5-13-9)14-4-3-10(17)16-8-1-2-8/h5-6,8H,1-4H2,(H,14,15)(H,16,17)
InChIKeyTZPBZMCCPFOJAJ-UHFFFAOYSA-N
XLogP0.43
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 107058013
N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 66005273
3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
CID 55210942
N-cyclopropyl-3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
CID 80922661
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539065
2-[[2-[(3-cyanopyrazin-2-yl)amino]acetyl]amino]acetic acid
CID 55104822
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 133283160

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide (CID 79393897) is 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide is N#Cc1nccnc1NCCC(=O)NC1CC1.
What is the InChIKey of 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is TZPBZMCCPFOJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-7-9-11(15-6-5-13-9)14-4-3-10(17)16-8-1-2-8/h5-6,8H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide?
3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 231.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).