(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate

C16H15N3O3 — CID 56645538

IUPAC(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(C(N)=O)c3ccccn3c2c1
InChIInChI=1S/C16H15N3O3/c1-18(2)16(21)22-10-6-7-11-13(9-10)19-8-4-3-5-12(19)14(11)15(17)20/h3-9H,1-2H3,(H2,17,20)
InChIKeyFVJZZPJACICSHQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.25
Rot. Bonds2

About (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate

(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate (PubChem CID 56645538) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
PubChem CID56645538
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(C(N)=O)c3ccccn3c2c1
InChIInChI=1S/C16H15N3O3/c1-18(2)16(21)22-10-6-7-11-13(9-10)19-8-4-3-5-12(19)14(11)15(17)20/h3-9H,1-2H3,(H2,17,20)
InChIKeyFVJZZPJACICSHQ-UHFFFAOYSA-N
XLogP2.25
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxypyrido[1,2-a]indole-10-carboxamide
CID 56645534
[10-[ethoxy(hydroxy)methyl]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
CID 123530734
[10-carbamoyl-1-[(4-ethoxyphenyl)methoxy]pyrido[1,2-a]indol-3-yl] N,N-dimethylcarbamate
CID 66667347
3-N-methylpyrido[1,2-a]indole-3,10-dicarboxamide
CID 66667151
methyl 3-(dimethylcarbamoyloxy)-1-hydroxypyrido[1,2-a]indole-10-carboxylate
CID 66668012
methyl 3-[4-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 66666855
methyl 3-[4-amino-1-(dimethylamino)-4-oxobutan-2-yl]oxypyrido[1,2-a]indole-10-carboxylate
CID 56644027
3-(dimethylcarbamoyloxy)-1-[2-(4-propan-2-yloxyphenyl)ethoxy]pyrido[1,2-a]indole-10-carboxylic acid
CID 66667788
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
ethyl 3-(3-methylbutoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56645067
methyl 3-(1-cyanoethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667840
propyl 3-(1-methylsulfonylpropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666599

Frequently Asked Questions

What is the IUPAC name of (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate (CID 56645538) is (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2c(C(N)=O)c3ccccn3c2c1.
What is the InChIKey of (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate?
The InChIKey is FVJZZPJACICSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-18(2)16(21)22-10-6-7-11-13(9-10)19-8-4-3-5-12(19)14(11)15(17)20/h3-9H,1-2H3,(H2,17,20).
What are the key properties of (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate?
(10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate has a molecular weight of 297.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-carbamoylpyrido[1,2-a]indol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 56645538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).