N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide

C19H24N4O2 — CID 86987634

IUPACN,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)NCCc2cccnc2)c1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)18(24)16-8-5-9-17(13-16)22-19(25)21-12-10-15-7-6-11-20-14-15/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H2,21,22,25)
InChIKeyKIBLXXUBSWIGFI-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.93
Rot. Bonds7

About N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide

N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide (PubChem CID 86987634) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
PubChem CID86987634
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)NCCc2cccnc2)c1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)18(24)16-8-5-9-17(13-16)22-19(25)21-12-10-15-7-6-11-20-14-15/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H2,21,22,25)
InChIKeyKIBLXXUBSWIGFI-UHFFFAOYSA-N
XLogP2.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
methyl 3-[2-[3-(2-pyridin-3-ylethylcarbamoylamino)phenyl]ethynyl]benzoate
CID 86994039
N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 52541173
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 3818400
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 86988033

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
The IUPAC name of N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide (CID 86987634) is N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide.
What is the SMILES notation for N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
The canonical SMILES for N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide is CCN(CC)C(=O)c1cccc(NC(=O)NCCc2cccnc2)c1.
What is the InChIKey of N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
The InChIKey is KIBLXXUBSWIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-23(4-2)18(24)16-8-5-9-17(13-16)22-19(25)21-12-10-15-7-6-11-20-14-15/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H2,21,22,25).
What are the key properties of N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide is sourced from PubChem (CID 86987634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).