ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate

C18H23N5O4 — CID 11740067

IUPACethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate
SMILESCCNC(=O)Nc1cccc(COCc2cccc(NC(=O)OCC)n2)n1
InChIInChI=1S/C18H23N5O4/c1-3-19-17(24)22-15-9-5-7-13(20-15)11-26-12-14-8-6-10-16(21-14)23-18(25)27-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,21,23,25)(H2,19,20,22,24)
InChIKeySAJBWKWBEMMHPH-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.90
Rot. Bonds8

About ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate

ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate (PubChem CID 11740067) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate
PubChem CID11740067
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Nameethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate
SMILESCCNC(=O)Nc1cccc(COCc2cccc(NC(=O)OCC)n2)n1
InChIInChI=1S/C18H23N5O4/c1-3-19-17(24)22-15-9-5-7-13(20-15)11-26-12-14-8-6-10-16(21-14)23-18(25)27-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,21,23,25)(H2,19,20,22,24)
InChIKeySAJBWKWBEMMHPH-UHFFFAOYSA-N
XLogP2.90
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 165487363
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
1-[6-(aminomethyl)-2-pyridinyl]-3-(2-methylpropyl)urea
CID 165487408
ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87044649
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
CID 125499687
N-[6-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 68842438
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate (CID 11740067) is ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate is CCNC(=O)Nc1cccc(COCc2cccc(NC(=O)OCC)n2)n1.
What is the InChIKey of ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate?
The InChIKey is SAJBWKWBEMMHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-3-19-17(24)22-15-9-5-7-13(20-15)11-26-12-14-8-6-10-16(21-14)23-18(25)27-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,21,23,25)(H2,19,20,22,24).
What are the key properties of ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate?
ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[[6-(ethylcarbamoylamino)-2-pyridinyl]methoxymethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 11740067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).