2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide

C11H16ClN5O — CID 126820934

IUPAC2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Nc1cnc(N)c(Cl)n1
InChIInChI=1S/C11H16ClN5O/c1-14-11(18)6-3-2-4-7(6)16-8-5-15-10(13)9(12)17-8/h5-7H,2-4H2,1H3,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyGHODBOOTPIZNBA-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.04
Rot. Bonds3

About 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide

2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide (PubChem CID 126820934) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide
PubChem CID126820934
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Nc1cnc(N)c(Cl)n1
InChIInChI=1S/C11H16ClN5O/c1-14-11(18)6-3-2-4-7(6)16-8-5-15-10(13)9(12)17-8/h5-7H,2-4H2,1H3,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyGHODBOOTPIZNBA-UHFFFAOYSA-N
XLogP1.04
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide (CID 126820934) is 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCCC1Nc1cnc(N)c(Cl)n1.
What is the InChIKey of 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide?
The InChIKey is GHODBOOTPIZNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-14-11(18)6-3-2-4-7(6)16-8-5-15-10(13)9(12)17-8/h5-7H,2-4H2,1H3,(H2,13,15)(H,14,18)(H,16,17).
What are the key properties of 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide?
2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide has a molecular weight of 269.74 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrazin-2-yl)amino]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 126820934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).