1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea

C14H15N3O — CID 51458239

IUPAC1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea
SMILESC[C@H](NC(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-11(12-6-3-2-4-7-12)16-14(18)17-13-8-5-9-15-10-13/h2-11H,1H3,(H2,16,17,18)/t11-/m0/s1
InChIKeyBXBCZJPQWYKLQS-NSHDSACASA-N
MW241.29 g/mol
LogP2.96
Rot. Bonds3

About 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea

1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea (PubChem CID 51458239) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea
PubChem CID51458239
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea
SMILESC[C@H](NC(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-11(12-6-3-2-4-7-12)16-14(18)17-13-8-5-9-15-10-13/h2-11H,1H3,(H2,16,17,18)/t11-/m0/s1
InChIKeyBXBCZJPQWYKLQS-NSHDSACASA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea (CID 51458239) is 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea is C[C@H](NC(=O)Nc1cccnc1)c1ccccc1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea?
The InChIKey is BXBCZJPQWYKLQS-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O/c1-11(12-6-3-2-4-7-12)16-14(18)17-13-8-5-9-15-10-13/h2-11H,1H3,(H2,16,17,18)/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea?
1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea has a molecular weight of 241.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 51458239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).