5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide

C11H17N5O — CID 114405789

IUPAC5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
SMILESCN1CCC(Nc2nc(C(N)=O)ccc2N)C1
InChIInChI=1S/C11H17N5O/c1-16-5-4-7(6-16)14-11-8(12)2-3-9(15-11)10(13)17/h2-3,7H,4-6,12H2,1H3,(H2,13,17)(H,14,15)
InChIKeyOZWNLLFUNBNEDV-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.12
Rot. Bonds3

About 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide

5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide (PubChem CID 114405789) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
PubChem CID114405789
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
SMILESCN1CCC(Nc2nc(C(N)=O)ccc2N)C1
InChIInChI=1S/C11H17N5O/c1-16-5-4-7(6-16)14-11-8(12)2-3-9(15-11)10(13)17/h2-3,7H,4-6,12H2,1H3,(H2,13,17)(H,14,15)
InChIKeyOZWNLLFUNBNEDV-UHFFFAOYSA-N
XLogP-0.12
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.12
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-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide (CID 114405789) is 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide is CN1CCC(Nc2nc(C(N)=O)ccc2N)C1.
What is the InChIKey of 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is OZWNLLFUNBNEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-16-5-4-7(6-16)14-11-8(12)2-3-9(15-11)10(13)17/h2-3,7H,4-6,12H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 114405789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).