4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide

C23H24N4O2 — CID 67536660

IUPAC4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(CNC(=O)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-2-4-17(5-3-16)15-26-22(28)14-21(24)18-6-8-19(9-7-18)23(29)27-20-10-12-25-13-11-20/h2-13,21H,14-15,24H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyHQUMGDIHYHICQS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.35
Rot. Bonds7

About 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide

4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide (PubChem CID 67536660) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
PubChem CID67536660
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(CNC(=O)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-2-4-17(5-3-16)15-26-22(28)14-21(24)18-6-8-19(9-7-18)23(29)27-20-10-12-25-13-11-20/h2-13,21H,14-15,24H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyHQUMGDIHYHICQS-UHFFFAOYSA-N
XLogP3.35
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
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-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864759
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864763
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538548

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide (CID 67536660) is 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide is Cc1ccc(CNC(=O)CC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
The InChIKey is HQUMGDIHYHICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-2-4-17(5-3-16)15-26-22(28)14-21(24)18-6-8-19(9-7-18)23(29)27-20-10-12-25-13-11-20/h2-13,21H,14-15,24H2,1H3,(H,26,28)(H,25,27,29).
What are the key properties of 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67536660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).