1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea

C22H30N4O2 — CID 126436882

IUPAC1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccccc1[C@H](NC(=O)N(C)CCCN1CCOCC1)c1ccncc1
InChIInChI=1S/C22H30N4O2/c1-18-6-3-4-7-20(18)21(19-8-10-23-11-9-19)24-22(27)25(2)12-5-13-26-14-16-28-17-15-26/h3-4,6-11,21H,5,12-17H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyGOWAJJLXGKPJSV-OAQYLSRUSA-N
MW382.51 g/mol
LogP2.84
Rot. Bonds7

About 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea

1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 126436882) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
PubChem CID126436882
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccccc1[C@H](NC(=O)N(C)CCCN1CCOCC1)c1ccncc1
InChIInChI=1S/C22H30N4O2/c1-18-6-3-4-7-20(18)21(19-8-10-23-11-9-19)24-22(27)25(2)12-5-13-26-14-16-28-17-15-26/h3-4,6-11,21H,5,12-17H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyGOWAJJLXGKPJSV-OAQYLSRUSA-N
XLogP2.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-[(R)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558586
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558587
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
CID 126448565
1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 110752196
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 71056228
3-methoxy-2,2-dimethyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]propanamide
CID 118784920
3-(4-ethoxy-3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 86974616
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42701638
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 55436392
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 16677411

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea (CID 126436882) is 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea is Cc1ccccc1[C@H](NC(=O)N(C)CCCN1CCOCC1)c1ccncc1.
What is the InChIKey of 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is GOWAJJLXGKPJSV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18-6-3-4-7-20(18)21(19-8-10-23-11-9-19)24-22(27)25(2)12-5-13-26-14-16-28-17-15-26/h3-4,6-11,21H,5,12-17H2,1-2H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea?
1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 382.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 126436882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).