1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea

C16H20N4O2 — CID 72856995

IUPAC1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea
SMILESCCCCN(Cc1cccnc1)C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C16H20N4O2/c1-2-3-10-20(12-13-6-4-8-17-11-13)16(22)19-14-7-5-9-18-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H,18,21)(H,19,22)
InChIKeyFVYGNJGJNYSYRI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.60
Rot. Bonds6

About 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea

1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 72856995) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea
PubChem CID72856995
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea
SMILESCCCCN(Cc1cccnc1)C(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C16H20N4O2/c1-2-3-10-20(12-13-6-4-8-17-11-13)16(22)19-14-7-5-9-18-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H,18,21)(H,19,22)
InChIKeyFVYGNJGJNYSYRI-UHFFFAOYSA-N
XLogP2.60
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 119064187
1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
CID 118788930
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010345
N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 42778869
1-[2-(dimethylamino)ethyl]-3-(2-methyl-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87035630
N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 72846941
1-[(4-chlorophenyl)methyl]-3-(4-heptylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 2726719
1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
CID 56826368
1-butyl-3-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 122567730
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea (CID 72856995) is 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea is CCCCN(Cc1cccnc1)C(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is FVYGNJGJNYSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-3-10-20(12-13-6-4-8-17-11-13)16(22)19-14-7-5-9-18-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea?
1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 300.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-oxo-1H-pyridin-3-yl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 72856995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).