N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide

C23H26N4O2 — CID 113020950

IUPACN-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3OC)cn2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-27(5-2)19-13-10-17(11-14-19)25-22-15-12-18(16-24-22)26-23(28)20-8-6-7-9-21(20)29-3/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyCFAZHFNDBJADKB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.93
Rot. Bonds8

About N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide

N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide (PubChem CID 113020950) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
PubChem CID113020950
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3OC)cn2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-27(5-2)19-13-10-17(11-14-19)25-22-15-12-18(16-24-22)26-23(28)20-8-6-7-9-21(20)29-3/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyCFAZHFNDBJADKB-UHFFFAOYSA-N
XLogP4.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
N-[4-(N-ethylanilino)phenyl]-2-methoxybenzamide
CID 112986547
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[5-(dipropylamino)-2-pyridinyl]-2-methoxybenzamide
CID 113030906
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide?
The IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide (CID 113020950) is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide?
The canonical SMILES for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)c3ccccc3OC)cn2)cc1.
What is the InChIKey of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide?
The InChIKey is CFAZHFNDBJADKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-27(5-2)19-13-10-17(11-14-19)25-22-15-12-18(16-24-22)26-23(28)20-8-6-7-9-21(20)29-3/h6-16H,4-5H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide?
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide has a molecular weight of 390.49 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide is sourced from PubChem (CID 113020950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).