1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea

C18H21ClN4O2 — CID 94075682

IUPAC1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
SMILESC[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cl)c3)cn2)CCO1
InChIInChI=1S/C18H21ClN4O2/c1-13-12-23(7-8-25-13)17-6-5-14(10-20-17)11-21-18(24)22-16-4-2-3-15(19)9-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,21,22,24)/t13-/m1/s1
InChIKeyWXCGQJOWCSYMTP-CYBMUJFWSA-N
MW360.85 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea

1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea (PubChem CID 94075682) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
PubChem CID94075682
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
SMILESC[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cl)c3)cn2)CCO1
InChIInChI=1S/C18H21ClN4O2/c1-13-12-23(7-8-25-13)17-6-5-14(10-20-17)11-21-18(24)22-16-4-2-3-15(19)9-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,21,22,24)/t13-/m1/s1
InChIKeyWXCGQJOWCSYMTP-CYBMUJFWSA-N
XLogP3.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]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

1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
CID 94030778
1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 51084320
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55746766
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55714096
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea (CID 94075682) is 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea is C[C@@H]1CN(c2ccc(CNC(=O)Nc3cccc(Cl)c3)cn2)CCO1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
The InChIKey is WXCGQJOWCSYMTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-13-12-23(7-8-25-13)17-6-5-14(10-20-17)11-21-18(24)22-16-4-2-3-15(19)9-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,21,22,24)/t13-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea?
1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea has a molecular weight of 360.85 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea is sourced from PubChem (CID 94075682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).