1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea

C17H28N4O3 — CID 98718274

IUPAC1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ncccc1CNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H28N4O3/c1-12(21-10-13(2)24-14(3)11-21)8-19-17(22)20-9-15-6-5-7-18-16(15)23-4/h5-7,12-14H,8-11H2,1-4H3,(H2,19,20,22)/t12-,13-,14+/m1/s1
InChIKeyWXDYBLFLKDEBFV-MCIONIFRSA-N
MW336.44 g/mol
LogP1.39
Rot. Bonds6

About 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea

1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea (PubChem CID 98718274) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
PubChem CID98718274
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ncccc1CNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H28N4O3/c1-12(21-10-13(2)24-14(3)11-21)8-19-17(22)20-9-15-6-5-7-18-16(15)23-4/h5-7,12-14H,8-11H2,1-4H3,(H2,19,20,22)/t12-,13-,14+/m1/s1
InChIKeyWXDYBLFLKDEBFV-MCIONIFRSA-N
XLogP1.39
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 94800842
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55747114
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 98718599
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea (CID 98718274) is 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea is COc1ncccc1CNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is WXDYBLFLKDEBFV-MCIONIFRSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12(21-10-13(2)24-14(3)11-21)8-19-17(22)20-9-15-6-5-7-18-16(15)23-4/h5-7,12-14H,8-11H2,1-4H3,(H2,19,20,22)/t12-,13-,14+/m1/s1.
What are the key properties of 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 336.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 98718274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).