1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea

C27H39N5O2 — CID 55702055

IUPAC1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCC1CN(c2ccc(CNC(=O)Nc3ccccc3CN(C)C3CCCCC3)cn2)CC(C)O1
InChIInChI=1S/C27H39N5O2/c1-20-17-32(18-21(2)34-20)26-14-13-22(15-28-26)16-29-27(33)30-25-12-8-7-9-23(25)19-31(3)24-10-5-4-6-11-24/h7-9,12-15,20-21,24H,4-6,10-11,16-19H2,1-3H3,(H2,29,30,33)
InChIKeyVDBAGKUCSJEXRB-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.78
Rot. Bonds7

About 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea

1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 55702055) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
PubChem CID55702055
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCC1CN(c2ccc(CNC(=O)Nc3ccccc3CN(C)C3CCCCC3)cn2)CC(C)O1
InChIInChI=1S/C27H39N5O2/c1-20-17-32(18-21(2)34-20)26-14-13-22(15-28-26)16-29-27(33)30-25-12-8-7-9-23(25)19-31(3)24-10-5-4-6-11-24/h7-9,12-15,20-21,24H,4-6,10-11,16-19H2,1-3H3,(H2,29,30,33)
InChIKeyVDBAGKUCSJEXRB-UHFFFAOYSA-N
XLogP4.78
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
4-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylcarbamoylamino]-N,3-dimethylbenzamide
CID 55740946
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 55741973
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55747114
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030
1-(2-cyano-4-fluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 78894419
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47861764
N-(2-benzylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43068945
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea (CID 55702055) is 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea is CC1CN(c2ccc(CNC(=O)Nc3ccccc3CN(C)C3CCCCC3)cn2)CC(C)O1.
What is the InChIKey of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is VDBAGKUCSJEXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-20-17-32(18-21(2)34-20)26-14-13-22(15-28-26)16-29-27(33)30-25-12-8-7-9-23(25)19-31(3)24-10-5-4-6-11-24/h7-9,12-15,20-21,24H,4-6,10-11,16-19H2,1-3H3,(H2,29,30,33).
What are the key properties of 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 465.64 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 55702055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).