N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide

C26H22N4O4 — CID 161302893

IUPACN-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESCC(=O)c1c[nH]c2ccc(NC(=O)[C@H](C)NC(=O)c3ccc(-c4ccccc4)cc3)nc2c1=O
InChIInChI=1S/C26H22N4O4/c1-15(28-26(34)19-10-8-18(9-11-19)17-6-4-3-5-7-17)25(33)30-22-13-12-21-23(29-22)24(32)20(14-27-21)16(2)31/h3-15H,1-2H3,(H,27,32)(H,28,34)(H,29,30,33)/t15-/m0/s1
InChIKeyYATCUYWCRTUJCW-HNNXBMFYSA-N
MW454.49 g/mol
LogP3.55
Rot. Bonds6

About N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide

N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide (PubChem CID 161302893) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
PubChem CID161302893
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC NameN-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESCC(=O)c1c[nH]c2ccc(NC(=O)[C@H](C)NC(=O)c3ccc(-c4ccccc4)cc3)nc2c1=O
InChIInChI=1S/C26H22N4O4/c1-15(28-26(34)19-10-8-18(9-11-19)17-6-4-3-5-7-17)25(33)30-22-13-12-21-23(29-22)24(32)20(14-27-21)16(2)31/h3-15H,1-2H3,(H,27,32)(H,28,34)(H,29,30,33)/t15-/m0/s1
InChIKeyYATCUYWCRTUJCW-HNNXBMFYSA-N
XLogP3.55
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide with MolForge

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Related Compounds

ethyl 4-oxo-6-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylate
CID 155478923
N-[(2S)-1-[(3-acetyl-4-oxo-1-prop-2-ynylquinolin-6-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide
CID 162247422
4-oxo-6-[[(2S)-3-phenyl-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid
CID 166801916
N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971466
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112767961
N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide
CID 4555376
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide (CID 161302893) is N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide is CC(=O)c1c[nH]c2ccc(NC(=O)[C@H](C)NC(=O)c3ccc(-c4ccccc4)cc3)nc2c1=O.
What is the InChIKey of N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
The InChIKey is YATCUYWCRTUJCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-15(28-26(34)19-10-8-18(9-11-19)17-6-4-3-5-7-17)25(33)30-22-13-12-21-23(29-22)24(32)20(14-27-21)16(2)31/h3-15H,1-2H3,(H,27,32)(H,28,34)(H,29,30,33)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide?
N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide has a molecular weight of 454.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(7-acetyl-8-oxo-5H-1,5-naphthyridin-2-yl)amino]-1-oxopropan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 161302893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).