1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea

C14H22N4O3 — CID 97313886

IUPAC1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea
SMILESC[C@@H](CNC(=O)Nc1ccc(=O)n(C)c1)N1CCOCC1
InChIInChI=1S/C14H22N4O3/c1-11(18-5-7-21-8-6-18)9-15-14(20)16-12-3-4-13(19)17(2)10-12/h3-4,10-11H,5-9H2,1-2H3,(H2,15,16,20)/t11-/m0/s1
InChIKeyDUPPNXHOBKPIOK-NSHDSACASA-N
MW294.35 g/mol
LogP0.23
Rot. Bonds4

About 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea

1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea (PubChem CID 97313886) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea.

Molecular Properties

Compound Name1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea
PubChem CID97313886
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea
SMILESC[C@@H](CNC(=O)Nc1ccc(=O)n(C)c1)N1CCOCC1
InChIInChI=1S/C14H22N4O3/c1-11(18-5-7-21-8-6-18)9-15-14(20)16-12-3-4-13(19)17(2)10-12/h3-4,10-11H,5-9H2,1-2H3,(H2,15,16,20)/t11-/m0/s1
InChIKeyDUPPNXHOBKPIOK-NSHDSACASA-N
XLogP0.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea?
The IUPAC name of 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea (CID 97313886) is 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea.
What is the SMILES notation for 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea?
The canonical SMILES for 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea is C[C@@H](CNC(=O)Nc1ccc(=O)n(C)c1)N1CCOCC1.
What is the InChIKey of 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea?
The InChIKey is DUPPNXHOBKPIOK-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11(18-5-7-21-8-6-18)9-15-14(20)16-12-3-4-13(19)17(2)10-12/h3-4,10-11H,5-9H2,1-2H3,(H2,15,16,20)/t11-/m0/s1.
What are the key properties of 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea?
1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea has a molecular weight of 294.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxo-3-pyridinyl)-3-[(2S)-2-morpholin-4-ylpropyl]urea is sourced from PubChem (CID 97313886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).