1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea

C20H27N5O3 — CID 55746766

IUPAC1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCCOc1cc(CNC(=O)NCc2ccc(N3CCOC(C)C3)nc2)ccn1
InChIInChI=1S/C20H27N5O3/c1-3-27-19-10-16(6-7-21-19)11-23-20(26)24-13-17-4-5-18(22-12-17)25-8-9-28-15(2)14-25/h4-7,10,12,15H,3,8-9,11,13-14H2,1-2H3,(H2,23,24,26)
InChIKeySOZMULGMHUFZCN-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.10
Rot. Bonds7

About 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea

1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 55746766) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
PubChem CID55746766
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCCOc1cc(CNC(=O)NCc2ccc(N3CCOC(C)C3)nc2)ccn1
InChIInChI=1S/C20H27N5O3/c1-3-27-19-10-16(6-7-21-19)11-23-20(26)24-13-17-4-5-18(22-12-17)25-8-9-28-15(2)14-25/h4-7,10,12,15H,3,8-9,11,13-14H2,1-2H3,(H2,23,24,26)
InChIKeySOZMULGMHUFZCN-UHFFFAOYSA-N
XLogP2.10
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
CID 94030778
1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 51084320
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94075682
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
ethyl 1-[N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155316
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea (CID 55746766) is 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea is CCOc1cc(CNC(=O)NCc2ccc(N3CCOC(C)C3)nc2)ccn1.
What is the InChIKey of 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is SOZMULGMHUFZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-27-19-10-16(6-7-21-19)11-23-20(26)24-13-17-4-5-18(22-12-17)25-8-9-28-15(2)14-25/h4-7,10,12,15H,3,8-9,11,13-14H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 385.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 55746766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).