N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide

C17H19N3O3 — CID 2988566

IUPACN-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-14-8-6-13(7-9-14)16(21)19-11-4-12-20-17(22)15-5-2-3-10-18-15/h2-3,5-10H,4,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyKBCXAHYPZBWHGV-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.64
Rot. Bonds7

About N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide

N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide (PubChem CID 2988566) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide
PubChem CID2988566
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H19N3O3/c1-23-14-8-6-13(7-9-14)16(21)19-11-4-12-20-17(22)15-5-2-3-10-18-15/h2-3,5-10H,4,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyKBCXAHYPZBWHGV-UHFFFAOYSA-N
XLogP1.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.64
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]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide (CID 2988566) is N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide is COc1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is KBCXAHYPZBWHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-14-8-6-13(7-9-14)16(21)19-11-4-12-20-17(22)15-5-2-3-10-18-15/h2-3,5-10H,4,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide?
N-[3-[(4-methoxybenzoyl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.64, 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]pyridine-2-carboxamide is sourced from PubChem (CID 2988566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).