N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide

C20H28N4O2 — CID 109153224

IUPACN-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NCCCOC)nc2)cc1
InChIInChI=1S/C20H28N4O2/c1-4-24(5-2)18-10-8-17(9-11-18)23-20(25)16-7-12-19(22-15-16)21-13-6-14-26-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyHNVCBAFPGHTMBQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.63
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide

N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109153224) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109153224
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NCCCOC)nc2)cc1
InChIInChI=1S/C20H28N4O2/c1-4-24(5-2)18-10-8-17(9-11-18)23-20(25)16-7-12-19(22-15-16)21-13-6-14-26-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyHNVCBAFPGHTMBQ-UHFFFAOYSA-N
XLogP3.63
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109153224) is N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(NCCCOC)nc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is HNVCBAFPGHTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-24(5-2)18-10-8-17(9-11-18)23-20(25)16-7-12-19(22-15-16)21-13-6-14-26-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide?
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).