1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea

C19H24N4O2 — CID 86916245

IUPAC1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c24-19(22-14-17-5-7-20-8-6-17)21-13-16-1-3-18(4-2-16)15-23-9-11-25-12-10-23/h1-8H,9-15H2,(H2,21,22,24)
InChIKeyDDUMYCOBHINWIV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.91
Rot. Bonds6

About 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea

1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 86916245) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID86916245
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H24N4O2/c24-19(22-14-17-5-7-20-8-6-17)21-13-16-1-3-18(4-2-16)15-23-9-11-25-12-10-23/h1-8H,9-15H2,(H2,21,22,24)
InChIKeyDDUMYCOBHINWIV-UHFFFAOYSA-N
XLogP1.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 36949894
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312311
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
CID 78871470
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
1-[3-(3-bromophenyl)propyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902149

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea (CID 86916245) is 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is DDUMYCOBHINWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(22-14-17-5-7-20-8-6-17)21-13-16-1-3-18(4-2-16)15-23-9-11-25-12-10-23/h1-8H,9-15H2,(H2,21,22,24).
What are the key properties of 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea?
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 340.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 86916245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).