ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate

C18H22N4O3 — CID 87044649

IUPACethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)NCc2cccc(C)n2)c1C
InChIInChI=1S/C18H22N4O3/c1-4-25-18(24)22-16-10-6-9-15(13(16)3)21-17(23)19-11-14-8-5-7-12(2)20-14/h5-10H,4,11H2,1-3H3,(H,22,24)(H2,19,21,23)
InChIKeyIKQPQYKBKMGSSS-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.59
Rot. Bonds5

About ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate

ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate (PubChem CID 87044649) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
PubChem CID87044649
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)NCc2cccc(C)n2)c1C
InChIInChI=1S/C18H22N4O3/c1-4-25-18(24)22-16-10-6-9-15(13(16)3)21-17(23)19-11-14-8-5-7-12(2)20-14/h5-10H,4,11H2,1-3H3,(H,22,24)(H2,19,21,23)
InChIKeyIKQPQYKBKMGSSS-UHFFFAOYSA-N
XLogP3.59
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate (CID 87044649) is ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)NCc2cccc(C)n2)c1C.
What is the InChIKey of ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The InChIKey is IKQPQYKBKMGSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-25-18(24)22-16-10-6-9-15(13(16)3)21-17(23)19-11-14-8-5-7-12(2)20-14/h5-10H,4,11H2,1-3H3,(H,22,24)(H2,19,21,23).
What are the key properties of ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 87044649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).