1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea

C19H23N3O2 — CID 155919724

IUPAC1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
SMILESCc1cc(C)cc(NC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-13-7-14(2)9-17(8-13)21-19(23)22-18-12-24-11-16(18)10-15-3-5-20-6-4-15/h3-9,16,18H,10-12H2,1-2H3,(H2,21,22,23)/t16-,18+/m1/s1
InChIKeyIGZXUHKXCQFDGB-AEFFLSMTSA-N
MW325.41 g/mol
LogP3.08
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea

1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea (PubChem CID 155919724) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
PubChem CID155919724
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
SMILESCc1cc(C)cc(NC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-13-7-14(2)9-17(8-13)21-19(23)22-18-12-24-11-16(18)10-15-3-5-20-6-4-15/h3-9,16,18H,10-12H2,1-2H3,(H2,21,22,23)/t16-,18+/m1/s1
InChIKeyIGZXUHKXCQFDGB-AEFFLSMTSA-N
XLogP3.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methoxypropyl)-3-phenyl-1-(1-pyridin-4-ylethyl)urea
CID 4070233
1-(2-Methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea
CID 4576987
N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-N-(1-pyridin-3-ylethyl)thiourea
CID 4576989
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 57663989
N-(3-methylphenyl)-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
CID 3239235
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-(2-Cyclohexylethyl)-1-(2-ethoxyethyl)-3-(3-pyridin-4-ylpropyl)urea
CID 49863210
1-[[4-(2-Methoxyethylamino)phenyl]methyl]-3-pyridin-4-ylurea
CID 51107491
N-[3-(2-methoxyethoxymethyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118848
N-[2-(2-pyridin-2-ylethyl)phenyl]-N'-(tetrahydro-2H-pyran-4-yl)urea
CID 72859137
1-(1-Oxaspiro[5.5]undecan-4-yl)-3-(2-pyridin-3-ylethyl)urea
CID 86769674
(2S,3S)-N-cyclopropyl-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470631

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea (CID 155919724) is 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea is Cc1cc(C)cc(NC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea?
The InChIKey is IGZXUHKXCQFDGB-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-7-14(2)9-17(8-13)21-19(23)22-18-12-24-11-16(18)10-15-3-5-20-6-4-15/h3-9,16,18H,10-12H2,1-2H3,(H2,21,22,23)/t16-,18+/m1/s1.
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea?
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea has a molecular weight of 325.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea is sourced from PubChem (CID 155919724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).