5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide

C13H17N5O — CID 104641533

IUPAC5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)N(C)Cc2ncc[nH]2)nc1
InChIInChI=1S/C13H17N5O/c1-3-14-10-4-5-11(17-8-10)13(19)18(2)9-12-15-6-7-16-12/h4-8,14H,3,9H2,1-2H3,(H,15,16)
InChIKeyQYHLNKRDBSKHPD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds5

About 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide

5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 104641533) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID104641533
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)N(C)Cc2ncc[nH]2)nc1
InChIInChI=1S/C13H17N5O/c1-3-14-10-4-5-11(17-8-10)13(19)18(2)9-12-15-6-7-16-12/h4-8,14H,3,9H2,1-2H3,(H,15,16)
InChIKeyQYHLNKRDBSKHPD-UHFFFAOYSA-N
XLogP1.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide (CID 104641533) is 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide is CCNc1ccc(C(=O)N(C)Cc2ncc[nH]2)nc1.
What is the InChIKey of 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is QYHLNKRDBSKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-14-10-4-5-11(17-8-10)13(19)18(2)9-12-15-6-7-16-12/h4-8,14H,3,9H2,1-2H3,(H,15,16).
What are the key properties of 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide?
5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104641533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).