N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide

C18H21N3O4 — CID 6456930

IUPACN-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2cccnc2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-24-15-7-6-13(11-16(15)25-2)17(22)20-9-4-10-21-18(23)14-5-3-8-19-12-14/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQMNLXAFVJDTMAU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.65
Rot. Bonds8

About N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide

N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 6456930) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
PubChem CID6456930
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCCNC(=O)c2cccnc2)cc1OC
InChIInChI=1S/C18H21N3O4/c1-24-15-7-6-13(11-16(15)25-2)17(22)20-9-4-10-21-18(23)14-5-3-8-19-12-14/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQMNLXAFVJDTMAU-UHFFFAOYSA-N
XLogP1.65
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide (CID 6456930) is N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCCCNC(=O)c2cccnc2)cc1OC.
What is the InChIKey of N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is QMNLXAFVJDTMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-15-7-6-13(11-16(15)25-2)17(22)20-9-4-10-21-18(23)14-5-3-8-19-12-14/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 6456930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).