1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea

C19H24ClN5O3 — CID 23153150

IUPAC1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESNc1ccc(Oc2ccnc(NC(=O)NCCCN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H24ClN5O3/c20-16-12-14(2-3-17(16)21)28-15-4-6-22-18(13-15)24-19(26)23-5-1-7-25-8-10-27-11-9-25/h2-4,6,12-13H,1,5,7-11,21H2,(H2,22,23,24,26)
InChIKeyLFUCHOBZDZVCSC-UHFFFAOYSA-N
MW405.89 g/mol
LogP2.95
Rot. Bonds7

About 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea

1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 23153150) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID23153150
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESNc1ccc(Oc2ccnc(NC(=O)NCCCN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H24ClN5O3/c20-16-12-14(2-3-17(16)21)28-15-4-6-22-18(13-15)24-19(26)23-5-1-7-25-8-10-27-11-9-25/h2-4,6,12-13H,1,5,7-11,21H2,(H2,22,23,24,26)
InChIKeyLFUCHOBZDZVCSC-UHFFFAOYSA-N
XLogP2.95
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 23152966
N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 89363606
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10344471
2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 139932135
1-[2-chloro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-propylurea
CID 22667116
N-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 23153235
4-[3-amino-4-[[[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]amino]methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 142815534
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(4-morpholin-4-ylbutylcarbamoylamino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46235696
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869740
4-hydrazinyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 62243174
1-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 142494704
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea (CID 23153150) is 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea is Nc1ccc(Oc2ccnc(NC(=O)NCCCN3CCOCC3)c2)cc1Cl.
What is the InChIKey of 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is LFUCHOBZDZVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c20-16-12-14(2-3-17(16)21)28-15-4-6-22-18(13-15)24-19(26)23-5-1-7-25-8-10-27-11-9-25/h2-4,6,12-13H,1,5,7-11,21H2,(H2,22,23,24,26).
What are the key properties of 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 405.89 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 23153150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).