4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide

C22H20N4O2 — CID 174561500

IUPAC4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)NC=Cc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C22H20N4O2/c23-20(22(28)25-15-10-16-4-2-1-3-5-16)17-6-8-18(9-7-17)21(27)26-19-11-13-24-14-12-19/h1-15,20H,23H2,(H,25,28)(H,24,26,27)
InChIKeyZZANXWSDFZCXRQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.12
Rot. Bonds6

About 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 174561500) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide
PubChem CID174561500
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)NC=Cc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C22H20N4O2/c23-20(22(28)25-15-10-16-4-2-1-3-5-16)17-6-8-18(9-7-17)21(27)26-19-11-13-24-14-12-19/h1-15,20H,23H2,(H,25,28)(H,24,26,27)
InChIKeyZZANXWSDFZCXRQ-UHFFFAOYSA-N
XLogP3.12
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983905
4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982627
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982501
4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide
CID 69455036
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid
CID 141164499
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide (CID 174561500) is 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide is NC(C(=O)NC=Cc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is ZZANXWSDFZCXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-20(22(28)25-15-10-16-4-2-1-3-5-16)17-6-8-18(9-7-17)21(27)26-19-11-13-24-14-12-19/h1-15,20H,23H2,(H,25,28)(H,24,26,27).
What are the key properties of 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 372.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 174561500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).