N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide

C18H22N4O3 — CID 109153217

IUPACN-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C18H22N4O3/c1-13(23)21-15-5-7-16(8-6-15)22-18(24)14-4-9-17(20-12-14)19-10-3-11-25-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyRTJMBIOOAYJLBX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.74
Rot. Bonds8

About N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide

N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109153217) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109153217
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C18H22N4O3/c1-13(23)21-15-5-7-16(8-6-15)22-18(24)14-4-9-17(20-12-14)19-10-3-11-25-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyRTJMBIOOAYJLBX-UHFFFAOYSA-N
XLogP2.74
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010487
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
N-(3-acetamidophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154328

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109153217) is N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is RTJMBIOOAYJLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)21-15-5-7-16(8-6-15)22-18(24)14-4-9-17(20-12-14)19-10-3-11-25-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide?
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).