1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C22H28N4O3 — CID 95769859

IUPAC1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)N(CCO)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H28N4O3/c27-13-10-26(20-7-3-5-17-4-1-2-6-19(17)20)22(28)24-18-8-9-21(23-16-18)25-11-14-29-15-12-25/h1-2,4,6,8-9,16,20,27H,3,5,7,10-15H2,(H,24,28)/t20-/m1/s1
InChIKeyDQBYJCGTZPUKOH-HXUWFJFHSA-N
MW396.49 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 95769859) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID95769859
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)N(CCO)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C22H28N4O3/c27-13-10-26(20-7-3-5-17-4-1-2-6-19(17)20)22(28)24-18-8-9-21(23-16-18)25-11-14-29-15-12-25/h1-2,4,6,8-9,16,20,27H,3,5,7,10-15H2,(H,24,28)/t20-/m1/s1
InChIKeyDQBYJCGTZPUKOH-HXUWFJFHSA-N
XLogP2.82
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyanomethyl)phenyl]-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111790574
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
1-(3-hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96536191
N-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 126784589
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
1-(2-hydroxyethyl)-3-(3-nitrophenyl)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97213982
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
3-(dicyclopropylmethyl)-1-(2-hydroxyethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793689
2-(2,3-dihydro-1H-inden-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 43038081
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)-1-prop-2-enylurea
CID 96534678

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 95769859) is 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is O=C(Nc1ccc(N2CCOCC2)nc1)N(CCO)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is DQBYJCGTZPUKOH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-13-10-26(20-7-3-5-17-4-1-2-6-19(17)20)22(28)24-18-8-9-21(23-16-18)25-11-14-29-15-12-25/h1-2,4,6,8-9,16,20,27H,3,5,7,10-15H2,(H,24,28)/t20-/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 396.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 95769859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).