ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate

C22H19N5O2 — CID 129315588

IUPACethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1
InChIInChI=1S/C22H19N5O2/c1-2-29-22(28)26-18-10-17(12-23-13-18)16-8-9-24-19(11-16)21-25-14-20(27-21)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyKZMSQTTZSOBMPA-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.77
Rot. Bonds5

About ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate

ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate (PubChem CID 129315588) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
PubChem CID129315588
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Nameethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1
InChIInChI=1S/C22H19N5O2/c1-2-29-22(28)26-18-10-17(12-23-13-18)16-8-9-24-19(11-16)21-25-14-20(27-21)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyKZMSQTTZSOBMPA-UHFFFAOYSA-N
XLogP4.77
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
CID 129315533
4-[2-[4-(5-methoxy-3-pyridinyl)-2-pyridinyl]-1H-imidazol-5-yl]-N,N-dimethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 129315696
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
N-(5-phenyl-3-pyridinyl)pyridine-2-carboxamide
CID 110742204
ethyl N-[3-(9H-pyrido[3,4-b]indol-1-yl)phenyl]carbamate
CID 71415674
2-(2-fluorophenoxy)-N-(5-phenyl-3-pyridinyl)acetamide
CID 110713734
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
CID 110735606
4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
CID 129315719
3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 129315830
ethyl N-[5-[[5-(N-phenylanilino)-6-pyrrolidin-1-yl-3-pyridinyl]sulfanyl]-3-pyridinyl]carbamate
CID 122526517
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137312881
3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile
CID 129315544

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate (CID 129315588) is ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate is CCOC(=O)Nc1cncc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)c1.
What is the InChIKey of ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The InChIKey is KZMSQTTZSOBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-2-29-22(28)26-18-10-17(12-23-13-18)16-8-9-24-19(11-16)21-25-14-20(27-21)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,27)(H,26,28).
What are the key properties of ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate has a molecular weight of 385.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 129315588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).