3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C16H24N6O — CID 47041053

IUPAC3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N(C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C16H24N6O/c1-5-22(6-2)15-8-7-14(10-17-15)19-16(23)20(3)11-13-9-18-21(4)12-13/h7-10,12H,5-6,11H2,1-4H3,(H,19,23)
InChIKeyZZXUCNYCZXZIOL-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.33
Rot. Bonds6

About 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 47041053) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID47041053
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N(C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C16H24N6O/c1-5-22(6-2)15-8-7-14(10-17-15)19-16(23)20(3)11-13-9-18-21(4)12-13/h7-10,12H,5-6,11H2,1-4H3,(H,19,23)
InChIKeyZZXUCNYCZXZIOL-UHFFFAOYSA-N
XLogP2.33
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 97157164
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 49120184
N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 104640906
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 31682826
methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate
CID 100690645
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893267
3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 126775891
3-[3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 118777477
2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
CID 47041050
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
CID 47128145
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151

Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 47041053) is 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CCN(CC)c1ccc(NC(=O)N(C)Cc2cnn(C)c2)cn1.
What is the InChIKey of 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is ZZXUCNYCZXZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-5-22(6-2)15-8-7-14(10-17-15)19-16(23)20(3)11-13-9-18-21(4)12-13/h7-10,12H,5-6,11H2,1-4H3,(H,19,23).
What are the key properties of 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 316.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 47041053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).