1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea

C19H19N3O2S — CID 60572861

IUPAC1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(Cn2ccccc2=O)cc1)NCc1cccs1
InChIInChI=1S/C19H19N3O2S/c23-18-5-1-2-10-22(18)14-16-8-6-15(7-9-16)12-20-19(24)21-13-17-4-3-11-25-17/h1-11H,12-14H2,(H2,20,21,24)
InChIKeyBBNASIAXGMBLSH-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.96
Rot. Bonds6

About 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 60572861) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID60572861
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(Cn2ccccc2=O)cc1)NCc1cccs1
InChIInChI=1S/C19H19N3O2S/c23-18-5-1-2-10-22(18)14-16-8-6-15(7-9-16)12-20-19(24)21-13-17-4-3-11-25-17/h1-11H,12-14H2,(H2,20,21,24)
InChIKeyBBNASIAXGMBLSH-UHFFFAOYSA-N
XLogP2.96
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 154841169
1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 47071678
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
2-ethyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]butanamide
CID 51092538
4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
CID 47071053
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134061161
2-methyl-1-[4-(2-oxo-1-pyridinyl)butyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258226
N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 37483914
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53164237
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60577602

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 60572861) is 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1ccc(Cn2ccccc2=O)cc1)NCc1cccs1.
What is the InChIKey of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is BBNASIAXGMBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-18-5-1-2-10-22(18)14-16-8-6-15(7-9-16)12-20-19(24)21-13-17-4-3-11-25-17/h1-11H,12-14H2,(H2,20,21,24).
What are the key properties of 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 353.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 60572861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).