N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide

C18H22N4O2 — CID 52541173

IUPACN,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H22N4O2/c1-3-22(4-2)17(23)15-7-9-16(10-8-15)21-18(24)20-13-14-6-5-11-19-12-14/h5-12H,3-4,13H2,1-2H3,(H2,20,21,24)
InChIKeyKPXOTZNOJIUIRV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.89
Rot. Bonds6

About N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide

N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide (PubChem CID 52541173) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
PubChem CID52541173
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H22N4O2/c1-3-22(4-2)17(23)15-7-9-16(10-8-15)21-18(24)20-13-14-6-5-11-19-12-14/h5-12H,3-4,13H2,1-2H3,(H2,20,21,24)
InChIKeyKPXOTZNOJIUIRV-UHFFFAOYSA-N
XLogP2.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[4-[hydroxy(oxido)amino]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 163182359
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
CID 91704077
1-(pyridin-3-ylmethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 67081143
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
1-(4-decoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5217676
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide (CID 52541173) is N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide is CCN(CC)C(=O)c1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The InChIKey is KPXOTZNOJIUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-22(4-2)17(23)15-7-9-16(10-8-15)21-18(24)20-13-14-6-5-11-19-12-14/h5-12H,3-4,13H2,1-2H3,(H2,20,21,24).
What are the key properties of N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 52541173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).