N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

C22H22N4O2 — CID 135231352

IUPACN-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1ccncc1)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(24-15-12-17-4-2-1-3-5-17)19-6-8-20(9-7-19)26-22(28)25-16-18-10-13-23-14-11-18/h1-11,13-14H,12,15-16H2,(H,24,27)(H2,25,26,28)
InChIKeyPCTVNDJROXEHHI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.38
Rot. Bonds7

About N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide (PubChem CID 135231352) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
PubChem CID135231352
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1ccncc1)Nc1ccc(C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(24-15-12-17-4-2-1-3-5-17)19-6-8-20(9-7-19)26-22(28)25-16-18-10-13-23-14-11-18/h1-11,13-14H,12,15-16H2,(H,24,27)(H2,25,26,28)
InChIKeyPCTVNDJROXEHHI-UHFFFAOYSA-N
XLogP3.38
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231083
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-[(2,6-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778426
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
N-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778314
N-[(2,6-dichlorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778259
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide (CID 135231352) is N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide is O=C(NCc1ccncc1)Nc1ccc(C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
The InChIKey is PCTVNDJROXEHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(24-15-12-17-4-2-1-3-5-17)19-6-8-20(9-7-19)26-22(28)25-16-18-10-13-23-14-11-18/h1-11,13-14H,12,15-16H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide?
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 135231352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).