ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate

C16H19N3O2 — CID 110178980

IUPACethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C)cc2C)nc1
InChIInChI=1S/C16H19N3O2/c1-4-21-16(20)18-13-6-8-15(17-10-13)19-14-7-5-11(2)9-12(14)3/h5-10H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySLTGRIUXZAAYKK-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.01
Rot. Bonds4

About ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate

ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate (PubChem CID 110178980) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
PubChem CID110178980
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccc(C)cc2C)nc1
InChIInChI=1S/C16H19N3O2/c1-4-21-16(20)18-13-6-8-15(17-10-13)19-14-7-5-11(2)9-12(14)3/h5-10H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySLTGRIUXZAAYKK-UHFFFAOYSA-N
XLogP4.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 18419410
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate (CID 110178980) is ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2ccc(C)cc2C)nc1.
What is the InChIKey of ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate?
The InChIKey is SLTGRIUXZAAYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-21-16(20)18-13-6-8-15(17-10-13)19-14-7-5-11(2)9-12(14)3/h5-10H,4H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate?
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate has a molecular weight of 285.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 110178980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).