1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea

C15H20N4OS — CID 75388984

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2cccc(N(C)C)n2)s1
InChIInChI=1S/C15H20N4OS/c1-11-7-8-13(21-11)10-17-15(20)16-9-12-5-4-6-14(18-12)19(2)3/h4-8H,9-10H2,1-3H3,(H2,16,17,20)
InChIKeyDPVLXGUOICNZIN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.52
Rot. Bonds5

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 75388984) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID75388984
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2cccc(N(C)C)n2)s1
InChIInChI=1S/C15H20N4OS/c1-11-7-8-13(21-11)10-17-15(20)16-9-12-5-4-6-14(18-12)19(2)3/h4-8H,9-10H2,1-3H3,(H2,16,17,20)
InChIKeyDPVLXGUOICNZIN-UHFFFAOYSA-N
XLogP2.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71909940
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-thiophen-3-ylurea
CID 84593325
methyl 6-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]hexanoate
CID 75514046
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 75389178
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 97242762
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 75388974
1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
CID 125499687
6-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115497750

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea (CID 75388984) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea is Cc1ccc(CNC(=O)NCc2cccc(N(C)C)n2)s1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is DPVLXGUOICNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-7-8-13(21-11)10-17-15(20)16-9-12-5-4-6-14(18-12)19(2)3/h4-8H,9-10H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 304.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 75388984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).