6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide

C13H17N5O — CID 62234153

IUPAC6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCn2ccnc2)n1
InChIInChI=1S/C13H17N5O/c1-2-15-12-5-3-4-11(17-12)13(19)16-7-9-18-8-6-14-10-18/h3-6,8,10H,2,7,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyCFAFAJHKNICSRS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.14
Rot. Bonds6

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

6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide (PubChem CID 62234153) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
PubChem CID62234153
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCn2ccnc2)n1
InChIInChI=1S/C13H17N5O/c1-2-15-12-5-3-4-11(17-12)13(19)16-7-9-18-8-6-14-10-18/h3-6,8,10H,2,7,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyCFAFAJHKNICSRS-UHFFFAOYSA-N
XLogP1.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide (CID 62234153) is 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide is CCNc1cccc(C(=O)NCCn2ccnc2)n1.
What is the InChIKey of 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is CFAFAJHKNICSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-15-12-5-3-4-11(17-12)13(19)16-7-9-18-8-6-14-10-18/h3-6,8,10H,2,7,9H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62234153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).