ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide

C28H30N4O2 — CID 169205451

IUPACethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide
SMILESCC.NC(=O)c1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1
InChIInChI=1S/C26H24N4O2.C2H6/c27-25(32)22-5-1-4-21(16-22)19-11-9-18(10-12-19)17-29-24(31)8-2-7-23-14-13-20-6-3-15-28-26(20)30-23;1-2/h1,3-6,9-16H,2,7-8,17H2,(H2,27,32)(H,29,31);1-2H3
InChIKeyWMFYXLLQNPMQCT-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.06
Rot. Bonds8

About ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide

ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide (PubChem CID 169205451) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Nameethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide
PubChem CID169205451
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Nameethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide
SMILESCC.NC(=O)c1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1
InChIInChI=1S/C26H24N4O2.C2H6/c27-25(32)22-5-1-4-21(16-22)19-11-9-18(10-12-19)17-29-24(31)8-2-7-23-14-13-20-6-3-15-28-26(20)30-23;1-2/h1,3-6,9-16H,2,7-8,17H2,(H2,27,32)(H,29,31);1-2H3
InChIKeyWMFYXLLQNPMQCT-UHFFFAOYSA-N
XLogP5.06
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-fluoro-6-[3-fluoro-4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzoate
CID 71449505
1-[[4-(3-chlorophenyl)phenyl]methylamino]-4-(1,8-naphthyridin-2-yl)butan-1-ol
CID 170211939
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
CID 71993129
4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
4-(1,8-naphthyridin-2-yl)-N-[(4-phenylphenyl)methyl]benzamide
CID 71449507
ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide
CID 144774247
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
CID 119042263
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
CID 156747649
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide?
The IUPAC name of ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide (CID 169205451) is ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide.
What is the SMILES notation for ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide?
The canonical SMILES for ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide is CC.NC(=O)c1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1.
What is the InChIKey of ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide?
The InChIKey is WMFYXLLQNPMQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2.C2H6/c27-25(32)22-5-1-4-21(16-22)19-11-9-18(10-12-19)17-29-24(31)8-2-7-23-14-13-20-6-3-15-28-26(20)30-23;1-2/h1,3-6,9-16H,2,7-8,17H2,(H2,27,32)(H,29,31);1-2H3.
What are the key properties of ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide?
ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide has a molecular weight of 454.57 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 169205451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).