4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide

C28H26N4O2 — CID 67536747

IUPAC4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C28H26N4O2/c29-26(23-10-12-24(13-11-23)28(34)32-25-14-16-30-17-15-25)19-31-27(33)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-17,26H,18-19,29H2,(H,31,33)(H,30,32,34)
InChIKeySROUYFGMXWQRQU-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.36
Rot. Bonds8

About 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67536747) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67536747
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESNC(CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C28H26N4O2/c29-26(23-10-12-24(13-11-23)28(34)32-25-14-16-30-17-15-25)19-31-27(33)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-17,26H,18-19,29H2,(H,31,33)(H,30,32,34)
InChIKeySROUYFGMXWQRQU-UHFFFAOYSA-N
XLogP4.36
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67549543
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-[1-amino-2-[methyl-[2-(4-methylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536439
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548
(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
CID 58987459
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide (CID 67536747) is 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is NC(CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is SROUYFGMXWQRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c29-26(23-10-12-24(13-11-23)28(34)32-25-14-16-30-17-15-25)19-31-27(33)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-17,26H,18-19,29H2,(H,31,33)(H,30,32,34).
What are the key properties of 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 450.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67536747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).