1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea

C18H20N6O — CID 75435309

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea
SMILESCN(C)c1cccc(CNC(=O)Nc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C18H20N6O/c1-23(2)17-10-6-7-14(21-17)11-19-18(25)22-15-12-20-24(13-15)16-8-4-3-5-9-16/h3-10,12-13H,11H2,1-2H3,(H2,19,22,25)
InChIKeyYXQCKTRXTKLNJI-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.65
Rot. Bonds5

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea (PubChem CID 75435309) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea
PubChem CID75435309
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea
SMILESCN(C)c1cccc(CNC(=O)Nc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C18H20N6O/c1-23(2)17-10-6-7-14(21-17)11-19-18(25)22-15-12-20-24(13-15)16-8-4-3-5-9-16/h3-10,12-13H,11H2,1-2H3,(H2,19,22,25)
InChIKeyYXQCKTRXTKLNJI-UHFFFAOYSA-N
XLogP2.65
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea (CID 75435309) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea is CN(C)c1cccc(CNC(=O)Nc2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea?
The InChIKey is YXQCKTRXTKLNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(2)17-10-6-7-14(21-17)11-19-18(25)22-15-12-20-24(13-15)16-8-4-3-5-9-16/h3-10,12-13H,11H2,1-2H3,(H2,19,22,25).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea has a molecular weight of 336.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 75435309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).