1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea

C16H24N6O2 — CID 97242762

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCc1noc([C@@H](NC(=O)NCc2cccc(N(C)C)n2)C(C)C)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)14(15-18-11(3)21-24-15)20-16(23)17-9-12-7-6-8-13(19-12)22(4)5/h6-8,10,14H,9H2,1-5H3,(H2,17,20,23)/t14-/m0/s1
InChIKeyIDZKMVCALANELI-AWEZNQCLSA-N
MW332.41 g/mol
LogP2.04
Rot. Bonds6

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 97242762) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID97242762
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCc1noc([C@@H](NC(=O)NCc2cccc(N(C)C)n2)C(C)C)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)14(15-18-11(3)21-24-15)20-16(23)17-9-12-7-6-8-13(19-12)22(4)5/h6-8,10,14H,9H2,1-5H3,(H2,17,20,23)/t14-/m0/s1
InChIKeyIDZKMVCALANELI-AWEZNQCLSA-N
XLogP2.04
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 109399230
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 84589715
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75388984
N-[3-[[[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 86939160
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea
CID 97242365
1-(2-hydroxy-2,5-dimethylhexyl)-3-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 111455473
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 97242533
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 109398549
4-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]butanoic acid
CID 122007866
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-thiophen-3-ylurea
CID 84593325
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 129399310
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71909940

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 97242762) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea is Cc1noc([C@@H](NC(=O)NCc2cccc(N(C)C)n2)C(C)C)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is IDZKMVCALANELI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)14(15-18-11(3)21-24-15)20-16(23)17-9-12-7-6-8-13(19-12)22(4)5/h6-8,10,14H,9H2,1-5H3,(H2,17,20,23)/t14-/m0/s1.
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 332.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 97242762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).