[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid

C15H13ClN4O4 — CID 174188050

IUPAC[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Cl)ncc1-c1ccc(N2CCOCC2=O)cn1
InChIInChI=1S/C15H13ClN4O4/c16-13-5-12(19-15(22)23)10(7-18-13)11-2-1-9(6-17-11)20-3-4-24-8-14(20)21/h1-2,5-7H,3-4,8H2,(H,18,19)(H,22,23)
InChIKeyKHGSOIVMPMDNHB-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.25
Rot. Bonds3

About [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid

[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid (PubChem CID 174188050) has the molecular formula C15H13ClN4O4 and a molecular weight of 348.75 g/mol. Its IUPAC name is [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
PubChem CID174188050
Molecular FormulaC15H13ClN4O4
Molecular Weight348.75 g/mol
Exact Mass348.06
IUPAC Name[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Cl)ncc1-c1ccc(N2CCOCC2=O)cn1
InChIInChI=1S/C15H13ClN4O4/c16-13-5-12(19-15(22)23)10(7-18-13)11-2-1-9(6-17-11)20-3-4-24-8-14(20)21/h1-2,5-7H,3-4,8H2,(H,18,19)(H,22,23)
InChIKeyKHGSOIVMPMDNHB-UHFFFAOYSA-N
XLogP2.25
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188070
[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
CID 91539862
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 66881556
4-[5-tert-butyl-6-(6-chloro-3-pyridinyl)-3-pyridinyl]morpholin-3-one
CID 175857135
3-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(3-oxomorpholin-4-yl)benzamide
CID 75096033
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 10457032
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
1-(3-amino-1,2-benzoxazol-5-yl)-7-fluoro-6-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]indazole-3-carboxamide
CID 11497942
methyl 2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carboxylate
CID 91756600
2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756748
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The IUPAC name of [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid (CID 174188050) is [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid is O=C(O)Nc1cc(Cl)ncc1-c1ccc(N2CCOCC2=O)cn1.
What is the InChIKey of [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
The InChIKey is KHGSOIVMPMDNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4/c16-13-5-12(19-15(22)23)10(7-18-13)11-2-1-9(6-17-11)20-3-4-24-8-14(20)21/h1-2,5-7H,3-4,8H2,(H,18,19)(H,22,23).
What are the key properties of [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid?
[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid has a molecular weight of 348.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid is sourced from PubChem (CID 174188050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).