(2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide

C23H22N4O2 — CID 67146461

IUPAC(2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccccc2)nc2c1C(=O)NCC2
InChIInChI=1S/C23H22N4O2/c24-17(13-15-7-3-1-4-8-15)22(28)27-20-14-19(16-9-5-2-6-10-16)26-18-11-12-25-23(29)21(18)20/h1-10,14,17H,11-13,24H2,(H,25,29)(H,26,27,28)/t17-/m0/s1
InChIKeyBSHODRYTOJRPGH-KRWDZBQOSA-N
MW386.46 g/mol
LogP2.54
Rot. Bonds5

About (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide

(2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide (PubChem CID 67146461) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide
PubChem CID67146461
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccccc2)nc2c1C(=O)NCC2
InChIInChI=1S/C23H22N4O2/c24-17(13-15-7-3-1-4-8-15)22(28)27-20-14-19(16-9-5-2-6-10-16)26-18-11-12-25-23(29)21(18)20/h1-10,14,17H,11-13,24H2,(H,25,29)(H,26,27,28)/t17-/m0/s1
InChIKeyBSHODRYTOJRPGH-KRWDZBQOSA-N
XLogP2.54
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
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CID 78995809
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
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(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
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(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 104893301
(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]-3-phenylpropanamide
CID 71218535
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide (CID 67146461) is (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccccc2)nc2c1C(=O)NCC2.
What is the InChIKey of (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide?
The InChIKey is BSHODRYTOJRPGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22N4O2/c24-17(13-15-7-3-1-4-8-15)22(28)27-20-14-19(16-9-5-2-6-10-16)26-18-11-12-25-23(29)21(18)20/h1-10,14,17H,11-13,24H2,(H,25,29)(H,26,27,28)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide has a molecular weight of 386.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-oxo-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 67146461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).