methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate

C16H19N3O3 — CID 113019866

IUPACmethyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C16H19N3O3/c1-11(2)22-14-7-5-4-6-13(14)19-15-9-8-12(10-17-15)18-16(20)21-3/h4-11H,1-3H3,(H,17,19)(H,18,20)
InChIKeyBOUPIRBJBSIWAT-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.79
Rot. Bonds5

About methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate

methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate (PubChem CID 113019866) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
PubChem CID113019866
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C16H19N3O3/c1-11(2)22-14-7-5-4-6-13(14)19-15-9-8-12(10-17-15)18-16(20)21-3/h4-11H,1-3H3,(H,17,19)(H,18,20)
InChIKeyBOUPIRBJBSIWAT-UHFFFAOYSA-N
XLogP3.79
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019828
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
2-ethyl-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]butanamide
CID 113034496
5-(dimethylsulfamoylamino)-2-(2-propan-2-yloxyanilino)pyridine
CID 113019877
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate (CID 113019866) is methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1.
What is the InChIKey of methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate?
The InChIKey is BOUPIRBJBSIWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(2)22-14-7-5-4-6-13(14)19-15-9-8-12(10-17-15)18-16(20)21-3/h4-11H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate?
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113019866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).