5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide

C12H18N4OS — CID 114117491

IUPAC5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide
SMILESCSC1(CNc2nc(C(N)=O)ccc2N)CCC1
InChIInChI=1S/C12H18N4OS/c1-18-12(5-2-6-12)7-15-11-8(13)3-4-9(16-11)10(14)17/h3-4H,2,5-7,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyHHMCANIWPUPWQU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.46
Rot. Bonds5

About 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide

5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide (PubChem CID 114117491) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide
PubChem CID114117491
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide
SMILESCSC1(CNc2nc(C(N)=O)ccc2N)CCC1
InChIInChI=1S/C12H18N4OS/c1-18-12(5-2-6-12)7-15-11-8(13)3-4-9(16-11)10(14)17/h3-4H,2,5-7,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyHHMCANIWPUPWQU-UHFFFAOYSA-N
XLogP1.46
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide (CID 114117491) is 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide is CSC1(CNc2nc(C(N)=O)ccc2N)CCC1.
What is the InChIKey of 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide?
The InChIKey is HHMCANIWPUPWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-18-12(5-2-6-12)7-15-11-8(13)3-4-9(16-11)10(14)17/h3-4H,2,5-7,13H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide?
5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 114117491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).