4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide

C20H18N4O2 — CID 15982114

IUPAC4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)Nc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H18N4O2/c21-18(20(26)24-16-4-2-1-3-5-16)14-6-8-15(9-7-14)19(25)23-17-10-12-22-13-11-17/h1-13,18H,21H2,(H,24,26)(H,22,23,25)
InChIKeyDHKMGUWLEAFJHZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.97
Rot. Bonds5

About 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide

4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide (PubChem CID 15982114) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
PubChem CID15982114
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)Nc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H18N4O2/c21-18(20(26)24-16-4-2-1-3-5-16)14-6-8-15(9-7-14)19(25)23-17-10-12-22-13-11-17/h1-13,18H,21H2,(H,24,26)(H,22,23,25)
InChIKeyDHKMGUWLEAFJHZ-UHFFFAOYSA-N
XLogP2.97
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide
CID 174561500
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-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
[pyridin-2-yl-[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]carbamic acid
CID 141164499
N-[3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]phenyl]pyridine-4-carboxamide
CID 122132708
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide (CID 15982114) is 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide is NC(C(=O)Nc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide?
The InChIKey is DHKMGUWLEAFJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-18(20(26)24-16-4-2-1-3-5-16)14-6-8-15(9-7-14)19(25)23-17-10-12-22-13-11-17/h1-13,18H,21H2,(H,24,26)(H,22,23,25).
What are the key properties of 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide?
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 15982114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).