1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

C19H22F2N4O2 — CID 55589673

IUPAC1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H22F2N4O2/c1-24(13-15-2-3-16(20)17(21)10-15)19(26)23-12-14-4-5-22-18(11-14)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,26)
InChIKeyAHDGJAAXRDVLHM-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.54
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 55589673) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID55589673
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C19H22F2N4O2/c1-24(13-15-2-3-16(20)17(21)10-15)19(26)23-12-14-4-5-22-18(11-14)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,26)
InChIKeyAHDGJAAXRDVLHM-UHFFFAOYSA-N
XLogP2.54
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 55793803
1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 95134145
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 51084308
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32584933
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (CID 55589673) is 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is AHDGJAAXRDVLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-24(13-15-2-3-16(20)17(21)10-15)19(26)23-12-14-4-5-22-18(11-14)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,26).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 376.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 55589673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).