1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea

C19H24N4O — CID 167775883

IUPAC1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea
SMILESCN1CCC(C)(CNC(=O)Nc2ccnc(-c3ccccc3)c2)C1
InChIInChI=1S/C19H24N4O/c1-19(9-11-23(2)14-19)13-21-18(24)22-16-8-10-20-17(12-16)15-6-4-3-5-7-15/h3-8,10,12H,9,11,13-14H2,1-2H3,(H2,20,21,22,24)
InChIKeyDRGFFVTYPAQMKJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.21
Rot. Bonds4

About 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea

1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea (PubChem CID 167775883) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea
PubChem CID167775883
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea
SMILESCN1CCC(C)(CNC(=O)Nc2ccnc(-c3ccccc3)c2)C1
InChIInChI=1S/C19H24N4O/c1-19(9-11-23(2)14-19)13-21-18(24)22-16-8-10-20-17(12-16)15-6-4-3-5-7-15/h3-8,10,12H,9,11,13-14H2,1-2H3,(H2,20,21,22,24)
InChIKeyDRGFFVTYPAQMKJ-UHFFFAOYSA-N
XLogP3.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea?
The IUPAC name of 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea (CID 167775883) is 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea?
The canonical SMILES for 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea is CN1CCC(C)(CNC(=O)Nc2ccnc(-c3ccccc3)c2)C1.
What is the InChIKey of 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea?
The InChIKey is DRGFFVTYPAQMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(9-11-23(2)14-19)13-21-18(24)22-16-8-10-20-17(12-16)15-6-4-3-5-7-15/h3-8,10,12H,9,11,13-14H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea?
1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea has a molecular weight of 324.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(2-phenyl-4-pyridinyl)urea is sourced from PubChem (CID 167775883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).