N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide

C21H24ClN5O — CID 47051734

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1Cl
InChIInChI=1S/C21H24ClN5O/c1-3-26(4-2)19(17-7-5-6-8-18(17)22)14-25-21(28)16-9-10-24-20(13-16)27-12-11-23-15-27/h5-13,15,19H,3-4,14H2,1-2H3,(H,25,28)
InChIKeyAGPLBTUVKFJLSF-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.73
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 47051734) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID47051734
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1Cl
InChIInChI=1S/C21H24ClN5O/c1-3-26(4-2)19(17-7-5-6-8-18(17)22)14-25-21(28)16-9-10-24-20(13-16)27-12-11-23-15-27/h5-13,15,19H,3-4,14H2,1-2H3,(H,25,28)
InChIKeyAGPLBTUVKFJLSF-UHFFFAOYSA-N
XLogP3.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 47051734) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide is CCN(CC)C(CNC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is AGPLBTUVKFJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-3-26(4-2)19(17-7-5-6-8-18(17)22)14-25-21(28)16-9-10-24-20(13-16)27-12-11-23-15-27/h5-13,15,19H,3-4,14H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 47051734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).