6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide

C11H13N5O — CID 62239354

IUPAC6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)NCCn2cccn2)n1
InChIInChI=1S/C11H13N5O/c12-10-4-1-3-9(15-10)11(17)13-6-8-16-7-2-5-14-16/h1-5,7H,6,8H2,(H2,12,15)(H,13,17)
InChIKeyCQHHKDBLFXRMQJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.29
Rot. Bonds4

About 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide

6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide (PubChem CID 62239354) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
PubChem CID62239354
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)NCCn2cccn2)n1
InChIInChI=1S/C11H13N5O/c12-10-4-1-3-9(15-10)11(17)13-6-8-16-7-2-5-14-16/h1-5,7H,6,8H2,(H2,12,15)(H,13,17)
InChIKeyCQHHKDBLFXRMQJ-UHFFFAOYSA-N
XLogP0.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide (CID 62239354) is 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide is Nc1cccc(C(=O)NCCn2cccn2)n1.
What is the InChIKey of 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is CQHHKDBLFXRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-10-4-1-3-9(15-10)11(17)13-6-8-16-7-2-5-14-16/h1-5,7H,6,8H2,(H2,12,15)(H,13,17).
What are the key properties of 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide?
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62239354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).