1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea

C14H19N3O2 — CID 94182434

IUPAC1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C14H19N3O2/c18-14(16-13-3-1-2-7-15-13)17(12-4-5-12)9-11-6-8-19-10-11/h1-3,7,11-12H,4-6,8-10H2,(H,15,16,18)/t11-/m0/s1
InChIKeyALXXWGSMPLTFQA-NSHDSACASA-N
MW261.32 g/mol
LogP2.11
Rot. Bonds4

About 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea

1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea (PubChem CID 94182434) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
PubChem CID94182434
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C14H19N3O2/c18-14(16-13-3-1-2-7-15-13)17(12-4-5-12)9-11-6-8-19-10-11/h1-3,7,11-12H,4-6,8-10H2,(H,15,16,18)/t11-/m0/s1
InChIKeyALXXWGSMPLTFQA-NSHDSACASA-N
XLogP2.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007472
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94124059
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94178436
1-cyclopropyl-1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 86816886
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 95124344
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
1-cyclopropyl-3-(1,2-diphenylethyl)-1-(oxolan-3-ylmethyl)urea
CID 87000160
(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 95767363

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea (CID 94182434) is 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea?
The InChIKey is ALXXWGSMPLTFQA-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(16-13-3-1-2-7-15-13)17(12-4-5-12)9-11-6-8-19-10-11/h1-3,7,11-12H,4-6,8-10H2,(H,15,16,18)/t11-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea?
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea has a molecular weight of 261.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 94182434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).