tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate

C20H23N5O2 — CID 140796393

IUPACtert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
SMILESCc1nc(-c2cc(-c3cncc(NC(=O)OC(C)(C)C)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H23N5O2/c1-12-13(2)24-18(23-12)17-9-14(6-7-22-17)15-8-16(11-21-10-15)25-19(26)27-20(3,4)5/h6-11H,1-5H3,(H,23,24)(H,25,26)
InChIKeySLHQLDGVIYZWLJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.50
Rot. Bonds3

About tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate

tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate (PubChem CID 140796393) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
PubChem CID140796393
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Nametert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate
SMILESCc1nc(-c2cc(-c3cncc(NC(=O)OC(C)(C)C)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H23N5O2/c1-12-13(2)24-18(23-12)17-9-14(6-7-22-17)15-8-16(11-21-10-15)25-19(26)27-20(3,4)5/h6-11H,1-5H3,(H,23,24)(H,25,26)
InChIKeySLHQLDGVIYZWLJ-UHFFFAOYSA-N
XLogP4.50
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate (CID 140796393) is tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate is Cc1nc(-c2cc(-c3cncc(NC(=O)OC(C)(C)C)c3)ccn2)[nH]c1C.
What is the InChIKey of tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
The InChIKey is SLHQLDGVIYZWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-13(2)24-18(23-12)17-9-14(6-7-22-17)15-8-16(11-21-10-15)25-19(26)27-20(3,4)5/h6-11H,1-5H3,(H,23,24)(H,25,26).
What are the key properties of tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate?
tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate has a molecular weight of 365.44 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 140796393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).