N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide

C17H21N7O — CID 174225056

IUPACN-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc(CNCCn2ccnc2)n1
InChIInChI=1S/C17H21N7O/c25-17(21-7-11-24-10-6-20-14-24)16-3-1-2-15(22-16)12-18-4-8-23-9-5-19-13-23/h1-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,(H,21,25)
InChIKeyCKUZMCVBXZRHSP-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.69
Rot. Bonds9

About N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide

N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide (PubChem CID 174225056) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide
PubChem CID174225056
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc(CNCCn2ccnc2)n1
InChIInChI=1S/C17H21N7O/c25-17(21-7-11-24-10-6-20-14-24)16-3-1-2-15(22-16)12-18-4-8-23-9-5-19-13-23/h1-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,(H,21,25)
InChIKeyCKUZMCVBXZRHSP-UHFFFAOYSA-N
XLogP0.69
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
2-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
3-[(2-imidazol-1-ylethylamino)methyl]-N,N-dimethylbenzamide
CID 139020115
5-hydrazinyl-N-(2-imidazol-1-ylethyl)pyrazine-2-carboxamide
CID 107378052
6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 10590275

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide (CID 174225056) is N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide is O=C(NCCn1ccnc1)c1cccc(CNCCn2ccnc2)n1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide?
The InChIKey is CKUZMCVBXZRHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c25-17(21-7-11-24-10-6-20-14-24)16-3-1-2-15(22-16)12-18-4-8-23-9-5-19-13-23/h1-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,(H,21,25).
What are the key properties of N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide?
N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 174225056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).