ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate

C17H20N4O3 — CID 87009707

IUPACethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)NCc2cccc(C)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-3-24-17(23)21-14-9-7-13(8-10-14)20-16(22)18-11-15-6-4-5-12(2)19-15/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,18,20,22)
InChIKeyRBYVVGTYOYCAFI-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.28
Rot. Bonds5

About ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate

ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate (PubChem CID 87009707) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
PubChem CID87009707
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)NCc2cccc(C)n2)cc1
InChIInChI=1S/C17H20N4O3/c1-3-24-17(23)21-14-9-7-13(8-10-14)20-16(22)18-11-15-6-4-5-12(2)19-15/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,18,20,22)
InChIKeyRBYVVGTYOYCAFI-UHFFFAOYSA-N
XLogP3.28
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87044649
1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate (CID 87009707) is ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(C)n2)cc1.
What is the InChIKey of ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
The InChIKey is RBYVVGTYOYCAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-24-17(23)21-14-9-7-13(8-10-14)20-16(22)18-11-15-6-4-5-12(2)19-15/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,18,20,22).
What are the key properties of ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate?
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 87009707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).