1-phenyl-1-propyl-3-pyridin-4-ylurea

C15H17N3O — CID 134101956

IUPAC1-phenyl-1-propyl-3-pyridin-4-ylurea
SMILESCCCN(C(=O)Nc1ccncc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-2-12-18(14-6-4-3-5-7-14)15(19)17-13-8-10-16-11-9-13/h3-11H,2,12H2,1H3,(H,16,17,19)
InChIKeyFEFUQSFUTDDFFM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.53
Rot. Bonds4

About 1-phenyl-1-propyl-3-pyridin-4-ylurea

1-phenyl-1-propyl-3-pyridin-4-ylurea (PubChem CID 134101956) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-phenyl-1-propyl-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-phenyl-1-propyl-3-pyridin-4-ylurea
PubChem CID134101956
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-phenyl-1-propyl-3-pyridin-4-ylurea
SMILESCCCN(C(=O)Nc1ccncc1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-2-12-18(14-6-4-3-5-7-14)15(19)17-13-8-10-16-11-9-13/h3-11H,2,12H2,1H3,(H,16,17,19)
InChIKeyFEFUQSFUTDDFFM-UHFFFAOYSA-N
XLogP3.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
3-[4-(aminomethyl)phenyl]-1-ethyl-1-pyridin-4-ylurea
CID 106936437
1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
CID 63233553
1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea
CID 12876113
1,3-diphenyl-1-triethylsilylurea
CID 21314542
1-(aminosulfanylmethyl)-1,3-diphenylurea
CID 90925999
1-pentyl-3-pyridin-4-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea
CID 91060813
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
CID 30845448

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-propyl-3-pyridin-4-ylurea?
The IUPAC name of 1-phenyl-1-propyl-3-pyridin-4-ylurea (CID 134101956) is 1-phenyl-1-propyl-3-pyridin-4-ylurea.
What is the SMILES notation for 1-phenyl-1-propyl-3-pyridin-4-ylurea?
The canonical SMILES for 1-phenyl-1-propyl-3-pyridin-4-ylurea is CCCN(C(=O)Nc1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-propyl-3-pyridin-4-ylurea?
The InChIKey is FEFUQSFUTDDFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-12-18(14-6-4-3-5-7-14)15(19)17-13-8-10-16-11-9-13/h3-11H,2,12H2,1H3,(H,16,17,19).
What are the key properties of 1-phenyl-1-propyl-3-pyridin-4-ylurea?
1-phenyl-1-propyl-3-pyridin-4-ylurea has a molecular weight of 255.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-propyl-3-pyridin-4-ylurea is sourced from PubChem (CID 134101956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).