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

C17H26N4O3 — CID 100852869

IUPAC1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESC[C@@H]1CN(c2ccc(NC(=O)NC[C@H]3CCCO3)cn2)C[C@@H](C)O1
InChIInChI=1S/C17H26N4O3/c1-12-10-21(11-13(2)24-12)16-6-5-14(8-18-16)20-17(22)19-9-15-4-3-7-23-15/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3,(H2,19,20,22)/t12-,13-,15-/m1/s1
InChIKeySOTAXENQZPLALS-UMVBOHGHSA-N
MW334.42 g/mol
LogP2.00
Rot. Bonds4

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

1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 100852869) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID100852869
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESC[C@@H]1CN(c2ccc(NC(=O)NC[C@H]3CCCO3)cn2)C[C@@H](C)O1
InChIInChI=1S/C17H26N4O3/c1-12-10-21(11-13(2)24-12)16-6-5-14(8-18-16)20-17(22)19-9-15-4-3-7-23-15/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3,(H2,19,20,22)/t12-,13-,15-/m1/s1
InChIKeySOTAXENQZPLALS-UMVBOHGHSA-N
XLogP2.00
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 100851233
N-cyclooctyl-N'-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]oxamide
CID 71889123
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95099061
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
1-(oxolan-2-ylmethyl)-3-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]thiourea
CID 133219887
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55839328
2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
N-[3-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 51958844

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 100852869) is 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]3CCCO3)cn2)C[C@@H](C)O1.
What is the InChIKey of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is SOTAXENQZPLALS-UMVBOHGHSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-10-21(11-13(2)24-12)16-6-5-14(8-18-16)20-17(22)19-9-15-4-3-7-23-15/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3,(H2,19,20,22)/t12-,13-,15-/m1/s1.
What are the key properties of 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 334.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 100852869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).