N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide

C18H21N3O3 — CID 6498656

IUPACN-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-4-5-15(12-21-13)18(23)20-11-3-10-19-17(22)14-6-8-16(24-2)9-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRBACORXJYCZEMM-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.95
Rot. Bonds7

About N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide

N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498656) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498656
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13-4-5-15(12-21-13)18(23)20-11-3-10-19-17(22)14-6-8-16(24-2)9-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRBACORXJYCZEMM-UHFFFAOYSA-N
XLogP1.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide (CID 6498656) is N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide is COc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is RBACORXJYCZEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-4-5-15(12-21-13)18(23)20-11-3-10-19-17(22)14-6-8-16(24-2)9-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxybenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).