N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide

C24H28N4O2 — CID 54383546

IUPACN-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2)c(N(CCCN(C)C)c2ccccc2)n1
InChIInChI=1S/C24H28N4O2/c1-27(2)17-10-18-28(20-13-8-5-9-14-20)23-21(15-16-22(26-23)30-3)25-24(29)19-11-6-4-7-12-19/h4-9,11-16H,10,17-18H2,1-3H3,(H,25,29)
InChIKeyVBQKLANKHXHAOO-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.43
Rot. Bonds9

About N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide

N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide (PubChem CID 54383546) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide
PubChem CID54383546
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2)c(N(CCCN(C)C)c2ccccc2)n1
InChIInChI=1S/C24H28N4O2/c1-27(2)17-10-18-28(20-13-8-5-9-14-20)23-21(15-16-22(26-23)30-3)25-24(29)19-11-6-4-7-12-19/h4-9,11-16H,10,17-18H2,1-3H3,(H,25,29)
InChIKeyVBQKLANKHXHAOO-UHFFFAOYSA-N
XLogP4.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

but-2-enedioic acid;N-[2-[N-[3-(dimethylamino)propyl]anilino]-3-pyridinyl]benzamide
CID 70450361
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046031
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
4-(methoxymethyl)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71919213
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579
N-[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]benzamide
CID 175915827
3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid
CID 122086793
N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
CID 52546324
N-[2,5-dimethoxy-4-[[2-(2-methylindol-1-yl)acetyl]amino]phenyl]benzamide
CID 26705081
N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 3867896
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide?
The IUPAC name of N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide (CID 54383546) is N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide.
What is the SMILES notation for N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide?
The canonical SMILES for N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide is COc1ccc(NC(=O)c2ccccc2)c(N(CCCN(C)C)c2ccccc2)n1.
What is the InChIKey of N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide?
The InChIKey is VBQKLANKHXHAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27(2)17-10-18-28(20-13-8-5-9-14-20)23-21(15-16-22(26-23)30-3)25-24(29)19-11-6-4-7-12-19/h4-9,11-16H,10,17-18H2,1-3H3,(H,25,29).
What are the key properties of N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide?
N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[3-(dimethylamino)propyl]anilino]-6-methoxy-3-pyridinyl]benzamide is sourced from PubChem (CID 54383546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).