N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide

C23H26N4O2 — CID 113035591

IUPACN-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-27(5-2)20-12-9-18(10-13-20)25-19-11-14-22(24-16-19)26-23(28)17-7-6-8-21(15-17)29-3/h6-16,25H,4-5H2,1-3H3,(H,24,26,28)
InChIKeyXELKCPLMTUOUTC-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.93
Rot. Bonds8

About N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide

N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide (PubChem CID 113035591) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
PubChem CID113035591
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)cc1
InChIInChI=1S/C23H26N4O2/c1-4-27(5-2)20-12-9-18(10-13-20)25-19-11-14-22(24-16-19)26-23(28)17-7-6-8-21(15-17)29-3/h6-16,25H,4-5H2,1-3H3,(H,24,26,28)
InChIKeyXELKCPLMTUOUTC-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

3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide (CID 113035591) is N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccc(OC)c3)nc2)cc1.
What is the InChIKey of N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide?
The InChIKey is XELKCPLMTUOUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-27(5-2)20-12-9-18(10-13-20)25-19-11-14-22(24-16-19)26-23(28)17-7-6-8-21(15-17)29-3/h6-16,25H,4-5H2,1-3H3,(H,24,26,28).
What are the key properties of N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide?
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-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-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113035591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).