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

C23H24N4O2 — CID 15983905

IUPAC4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCC[C@H](NC(=O)C(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-2-20(16-6-4-3-5-7-16)27-23(29)21(24)17-8-10-18(11-9-17)22(28)26-19-12-14-25-15-13-19/h3-15,20-21H,2,24H2,1H3,(H,27,29)(H,25,26,28)/t20-,21?/m0/s1
InChIKeySXOQNCFUVAHXOL-BGERDNNASA-N
MW388.47 g/mol
LogP3.60
Rot. Bonds7

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

4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 15983905) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID15983905
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCC[C@H](NC(=O)C(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C23H24N4O2/c1-2-20(16-6-4-3-5-7-16)27-23(29)21(24)17-8-10-18(11-9-17)22(28)26-19-12-14-25-15-13-19/h3-15,20-21H,2,24H2,1H3,(H,27,29)(H,25,26,28)/t20-,21?/m0/s1
InChIKeySXOQNCFUVAHXOL-BGERDNNASA-N
XLogP3.60
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 ≤ 53.60
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
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
4-[1-amino-2-oxo-2-(2-phenylethenylamino)ethyl]-N-pyridin-4-ylbenzamide
CID 174561500
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889
4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982627
(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
CID 104871611
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
CID 59419420
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide (CID 15983905) is 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide is CC[C@H](NC(=O)C(N)c1ccc(C(=O)Nc2ccncc2)cc1)c1ccccc1.
What is the InChIKey of 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is SXOQNCFUVAHXOL-BGERDNNASA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-20(16-6-4-3-5-7-16)27-23(29)21(24)17-8-10-18(11-9-17)22(28)26-19-12-14-25-15-13-19/h3-15,20-21H,2,24H2,1H3,(H,27,29)(H,25,26,28)/t20-,21?/m0/s1.
What are the key properties of 4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.60, 7 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-[[(1S)-1-phenylpropyl]amino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 15983905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).