6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide

C11H13N5O — CID 55214916

IUPAC6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)Nc2ncc[nH]2)n1
InChIInChI=1S/C11H13N5O/c1-2-12-9-5-3-4-8(15-9)10(17)16-11-13-6-7-14-11/h3-7H,2H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyJQWMLOGVVAXFPI-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.49
Rot. Bonds4

About 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide

6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide (PubChem CID 55214916) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
PubChem CID55214916
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)Nc2ncc[nH]2)n1
InChIInChI=1S/C11H13N5O/c1-2-12-9-5-3-4-8(15-9)10(17)16-11-13-6-7-14-11/h3-7H,2H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyJQWMLOGVVAXFPI-UHFFFAOYSA-N
XLogP1.49
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide (CID 55214916) is 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide is CCNc1cccc(C(=O)Nc2ncc[nH]2)n1.
What is the InChIKey of 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
The InChIKey is JQWMLOGVVAXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-12-9-5-3-4-8(15-9)10(17)16-11-13-6-7-14-11/h3-7H,2H2,1H3,(H,12,15)(H2,13,14,16,17).
What are the key properties of 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?
6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(1H-imidazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 55214916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).