N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide

C20H18N6O — CID 70785744

IUPACN-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCn1ccnc1-c1ccc(-n2ccnc2)cc1)c1ccncc1
InChIInChI=1S/C20H18N6O/c27-20(17-5-7-21-8-6-17)24-11-14-25-13-10-23-19(25)16-1-3-18(4-2-16)26-12-9-22-15-26/h1-10,12-13,15H,11,14H2,(H,24,27)
InChIKeyATCOQTMMUPYADX-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.56
Rot. Bonds6

About N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide

N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide (PubChem CID 70785744) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide
PubChem CID70785744
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCn1ccnc1-c1ccc(-n2ccnc2)cc1)c1ccncc1
InChIInChI=1S/C20H18N6O/c27-20(17-5-7-21-8-6-17)24-11-14-25-13-10-23-19(25)16-1-3-18(4-2-16)26-12-9-22-15-26/h1-10,12-13,15H,11,14H2,(H,24,27)
InChIKeyATCOQTMMUPYADX-UHFFFAOYSA-N
XLogP2.56
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide (CID 70785744) is N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide is O=C(NCCn1ccnc1-c1ccc(-n2ccnc2)cc1)c1ccncc1.
What is the InChIKey of N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is ATCOQTMMUPYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-20(17-5-7-21-8-6-17)24-11-14-25-13-10-23-19(25)16-1-3-18(4-2-16)26-12-9-22-15-26/h1-10,12-13,15H,11,14H2,(H,24,27).
What are the key properties of N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide?
N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 70785744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).