2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide

C19H25N3O2 — CID 109167231

IUPAC2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-14(2)15-5-7-17(8-6-15)22-19(23)16-9-11-21-18(13-16)20-10-4-12-24-3/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyXWTQJKDUMWRRQA-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.91
Rot. Bonds8

About 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide

2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 109167231) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID109167231
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-14(2)15-5-7-17(8-6-15)22-19(23)16-9-11-21-18(13-16)20-10-4-12-24-3/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyXWTQJKDUMWRRQA-UHFFFAOYSA-N
XLogP3.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952
N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167233
2-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109167318
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315
N-(4-tert-butylphenyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109175256
methyl 4-[[2-(2-methylpropylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165776
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide (CID 109167231) is 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccn1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is XWTQJKDUMWRRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)15-5-7-17(8-6-15)22-19(23)16-9-11-21-18(13-16)20-10-4-12-24-3/h5-9,11,13-14H,4,10,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).