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

C21H26N4O3 — CID 72904612

IUPAC1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
SMILESO=C(NCC1(CN2CCOCC2)CC1)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H26N4O3/c26-20(23-15-21(7-8-21)16-25-10-12-27-13-11-25)24-17-3-5-18(6-4-17)28-19-2-1-9-22-14-19/h1-6,9,14H,7-8,10-13,15-16H2,(H2,23,24,26)
InChIKeyNBXVWTOTAINXIX-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.11
Rot. Bonds7

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

1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea (PubChem CID 72904612) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
PubChem CID72904612
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
SMILESO=C(NCC1(CN2CCOCC2)CC1)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H26N4O3/c26-20(23-15-21(7-8-21)16-25-10-12-27-13-11-25)24-17-3-5-18(6-4-17)28-19-2-1-9-22-14-19/h1-6,9,14H,7-8,10-13,15-16H2,(H2,23,24,26)
InChIKeyNBXVWTOTAINXIX-UHFFFAOYSA-N
XLogP3.11
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea with MolForge

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Related Compounds

N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397
1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 45226535
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755518
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-pyridin-3-ylmethanamine
CID 71860476
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 110077792
(4aS,8aS)-4a-hydroxy-N-(4-pyridin-3-yloxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 91835309
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603
1-morpholin-4-yl-N-(3-pyridin-3-yloxypropyl)cyclohexane-1-carboxamide
CID 118774806
2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide
CID 91957323

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea (CID 72904612) is 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea is O=C(NCC1(CN2CCOCC2)CC1)Nc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The InChIKey is NBXVWTOTAINXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(23-15-21(7-8-21)16-25-10-12-27-13-11-25)24-17-3-5-18(6-4-17)28-19-2-1-9-22-14-19/h1-6,9,14H,7-8,10-13,15-16H2,(H2,23,24,26).
What are the key properties of 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea has a molecular weight of 382.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 72904612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).