1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea

C23H29N3O3 — CID 52520502

IUPAC1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1
InChIInChI=1S/C23H29N3O3/c27-23(26(16-21-3-1-13-28-21)17-22-4-2-14-29-22)25-20-7-5-18(6-8-20)15-19-9-11-24-12-10-19/h5-12,21-22H,1-4,13-17H2,(H,25,27)/t21-,22-/m1/s1
InChIKeyFOKNGFNSEVCHOM-FGZHOGPDSA-N
MW395.50 g/mol
LogP3.86
Rot. Bonds7

About 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea

1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea (PubChem CID 52520502) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
PubChem CID52520502
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1
InChIInChI=1S/C23H29N3O3/c27-23(26(16-21-3-1-13-28-21)17-22-4-2-14-29-22)25-20-7-5-18(6-8-20)15-19-9-11-24-12-10-19/h5-12,21-22H,1-4,13-17H2,(H,25,27)/t21-,22-/m1/s1
InChIKeyFOKNGFNSEVCHOM-FGZHOGPDSA-N
XLogP3.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]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

3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
1-(cyclobutylmethyl)-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-1-(oxolan-2-ylmethyl)urea
CID 72841785
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
1-(cyclobutylmethyl)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(oxolan-2-ylmethyl)urea
CID 72937240
N-[3-[[(2-hydroxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]pyridine-4-carboxamide
CID 52512224
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 51119090
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 52518354
3-(4-cyanophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 25348927
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038
3-(4-cyanophenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97437781

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea (CID 52520502) is 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea is O=C(Nc1ccc(Cc2ccncc2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1.
What is the InChIKey of 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The InChIKey is FOKNGFNSEVCHOM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-23(26(16-21-3-1-13-28-21)17-22-4-2-14-29-22)25-20-7-5-18(6-8-20)15-19-9-11-24-12-10-19/h5-12,21-22H,1-4,13-17H2,(H,25,27)/t21-,22-/m1/s1.
What are the key properties of 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea has a molecular weight of 395.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 52520502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).