N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide

C28H31N5O2 — CID 135372770

IUPACN,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Nc3ccc(NCCOC)cc3)c3cnccc3n2)cc1
InChIInChI=1S/C28H31N5O2/c1-4-33(5-2)28(34)21-8-6-20(7-9-21)26-18-27(24-19-29-15-14-25(24)32-26)31-23-12-10-22(11-13-23)30-16-17-35-3/h6-15,18-19,30H,4-5,16-17H2,1-3H3,(H,31,32)
InChIKeyWQEKLCFSDKCBPE-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.58
Rot. Bonds10

About N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide

N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide (PubChem CID 135372770) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide
PubChem CID135372770
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(Nc3ccc(NCCOC)cc3)c3cnccc3n2)cc1
InChIInChI=1S/C28H31N5O2/c1-4-33(5-2)28(34)21-8-6-20(7-9-21)26-18-27(24-19-29-15-14-25(24)32-26)31-23-12-10-22(11-13-23)30-16-17-35-3/h6-15,18-19,30H,4-5,16-17H2,1-3H3,(H,31,32)
InChIKeyWQEKLCFSDKCBPE-UHFFFAOYSA-N
XLogP5.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[(dimethylamino)methyl]anilino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
CID 135372105
N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372997
N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942
N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
CID 135373155
ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
CID 144675088
4-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-1,6-naphthyridin-2-yl]benzoic acid
CID 142467377
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 29405110
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)benzamide
CID 135372873
N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453993
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135372300
4-[[4-(diethylcarbamoyl)anilino]methyl]benzoic acid
CID 122033517

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide (CID 135372770) is N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide is CCN(CC)C(=O)c1ccc(-c2cc(Nc3ccc(NCCOC)cc3)c3cnccc3n2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide?
The InChIKey is WQEKLCFSDKCBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-4-33(5-2)28(34)21-8-6-20(7-9-21)26-18-27(24-19-29-15-14-25(24)32-26)31-23-12-10-22(11-13-23)30-16-17-35-3/h6-15,18-19,30H,4-5,16-17H2,1-3H3,(H,31,32).
What are the key properties of N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide?
N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide has a molecular weight of 469.59 g/mol, XLogP of 5.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[4-(2-methoxyethylamino)anilino]-1,6-naphthyridin-2-yl]benzamide is sourced from PubChem (CID 135372770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).