1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C14H20N6O — CID 51082006

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H20N6O/c1-11(10-20-8-4-7-16-20)17-14(21)18-12-5-6-13(15-9-12)19(2)3/h4-9,11H,10H2,1-3H3,(H2,17,18,21)
InChIKeyGXLQFOVJIOGARP-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.55
Rot. Bonds5

About 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 51082006) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID51082006
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C14H20N6O/c1-11(10-20-8-4-7-16-20)17-14(21)18-12-5-6-13(15-9-12)19(2)3/h4-9,11H,10H2,1-3H3,(H2,17,18,21)
InChIKeyGXLQFOVJIOGARP-UHFFFAOYSA-N
XLogP1.55
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 51082006) is 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is GXLQFOVJIOGARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11(10-20-8-4-7-16-20)17-14(21)18-12-5-6-13(15-9-12)19(2)3/h4-9,11H,10H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 288.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51082006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).