methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate

C16H15N3O2 — CID 651211

IUPACmethyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
SMILESCOC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12
InChIInChI=1S/C16H15N3O2/c1-11-8-9-13-17-14(12-6-4-3-5-7-12)15(19(13)10-11)18-16(20)21-2/h3-10H,1-2H3,(H,18,20)
InChIKeyIPVVISINZFBWEG-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.49
Rot. Bonds2

About methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate

methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate (PubChem CID 651211) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
PubChem CID651211
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Namemethyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
SMILESCOC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12
InChIInChI=1S/C16H15N3O2/c1-11-8-9-13-17-14(12-6-4-3-5-7-12)15(19(13)10-11)18-16(20)21-2/h3-10H,1-2H3,(H,18,20)
InChIKeyIPVVISINZFBWEG-UHFFFAOYSA-N
XLogP3.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The IUPAC name of methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate (CID 651211) is methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate.
What is the SMILES notation for methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The canonical SMILES for methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate is COC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12.
What is the InChIKey of methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The InChIKey is IPVVISINZFBWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-8-9-13-17-14(12-6-4-3-5-7-12)15(19(13)10-11)18-16(20)21-2/h3-10H,1-2H3,(H,18,20).
What are the key properties of methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate has a molecular weight of 281.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate is sourced from PubChem (CID 651211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).