3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea

C18H27N3O4 — CID 94077984

IUPAC3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1ncccc1CNC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C18H27N3O4/c1-23-17-14(5-2-8-19-17)11-20-18(22)21(12-15-6-3-9-24-15)13-16-7-4-10-25-16/h2,5,8,15-16H,3-4,6-7,9-13H2,1H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyWSSAGZKMZYEYAT-HOTGVXAUSA-N
MW349.43 g/mol
LogP1.96
Rot. Bonds7

About 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea

3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 94077984) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID94077984
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
SMILESCOc1ncccc1CNC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C18H27N3O4/c1-23-17-14(5-2-8-19-17)11-20-18(22)21(12-15-6-3-9-24-15)13-16-7-4-10-25-16/h2,5,8,15-16H,3-4,6-7,9-13H2,1H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyWSSAGZKMZYEYAT-HOTGVXAUSA-N
XLogP1.96
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-3-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 51947667
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 95762761
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
3-[(2-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 47065691
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 95762745
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea (CID 94077984) is 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea is COc1ncccc1CNC(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is WSSAGZKMZYEYAT-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-23-17-14(5-2-8-19-17)11-20-18(22)21(12-15-6-3-9-24-15)13-16-7-4-10-25-16/h2,5,8,15-16H,3-4,6-7,9-13H2,1H3,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 349.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94077984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).