1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

C15H22F2N4O3 — CID 167772374

IUPAC1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCOCCN(CC(F)F)C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H22F2N4O3/c1-23-7-4-21(11-13(16)17)15(22)19-12-2-3-14(18-10-12)20-5-8-24-9-6-20/h2-3,10,13H,4-9,11H2,1H3,(H,19,22)
InChIKeyJNMNIHQTCJHAIE-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.66
Rot. Bonds7

About 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 167772374) has the molecular formula C15H22F2N4O3 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID167772374
Molecular FormulaC15H22F2N4O3
Molecular Weight344.36 g/mol
Exact Mass344.17
IUPAC Name1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCOCCN(CC(F)F)C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H22F2N4O3/c1-23-7-4-21(11-13(16)17)15(22)19-12-2-3-14(18-10-12)20-5-8-24-9-6-20/h2-3,10,13H,4-9,11H2,1H3,(H,19,22)
InChIKeyJNMNIHQTCJHAIE-UHFFFAOYSA-N
XLogP1.66
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea with MolForge

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Related Compounds

5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 25468464
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-(3-methoxy-2-methylpropyl)-6-morpholin-4-ylpyridin-3-amine
CID 116501035
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 126788756
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
4-(methoxymethyl)-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120640895

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 167772374) is 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is COCCN(CC(F)F)C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is JNMNIHQTCJHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3/c1-23-7-4-21(11-13(16)17)15(22)19-12-2-3-14(18-10-12)20-5-8-24-9-6-20/h2-3,10,13H,4-9,11H2,1H3,(H,19,22).
What are the key properties of 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 344.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-(2-methoxyethyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 167772374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).