1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea

C17H22N4O3 — CID 94068034

IUPAC1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
SMILESC[C@@H]1CN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CCO1
InChIInChI=1S/C17H22N4O3/c1-13-11-21(5-7-24-13)16-3-2-14(8-18-16)9-19-17(22)20-10-15-4-6-23-12-15/h2-4,6,8,12-13H,5,7,9-11H2,1H3,(H2,19,20,22)/t13-/m1/s1
InChIKeyGIRJGRNGMVNITK-CYBMUJFWSA-N
MW330.39 g/mol
LogP1.90
Rot. Bonds5

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

1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea (PubChem CID 94068034) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
PubChem CID94068034
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
SMILESC[C@@H]1CN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CCO1
InChIInChI=1S/C17H22N4O3/c1-13-11-21(5-7-24-13)16-3-2-14(8-18-16)9-19-17(22)20-10-15-4-6-23-12-15/h2-4,6,8,12-13H,5,7,9-11H2,1H3,(H2,19,20,22)/t13-/m1/s1
InChIKeyGIRJGRNGMVNITK-CYBMUJFWSA-N
XLogP1.90
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55746766
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129
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
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 55714060

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea (CID 94068034) is 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea is C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccoc3)cn2)CCO1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
The InChIKey is GIRJGRNGMVNITK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13-11-21(5-7-24-13)16-3-2-14(8-18-16)9-19-17(22)20-10-15-4-6-23-12-15/h2-4,6,8,12-13H,5,7,9-11H2,1H3,(H2,19,20,22)/t13-/m1/s1.
What are the key properties of 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea has a molecular weight of 330.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea is sourced from PubChem (CID 94068034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).