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

C19H23N3O3 — CID 6457114

IUPACN-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCCCOc1cccc(C(=O)NCCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C19H23N3O3/c1-2-13-25-16-8-5-7-15(14-16)18(23)21-11-6-12-22-19(24)17-9-3-4-10-20-17/h3-5,7-10,14H,2,6,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyOMXBUGULPYCIKR-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.42
Rot. Bonds9

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

N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide (PubChem CID 6457114) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide
PubChem CID6457114
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCCCOc1cccc(C(=O)NCCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C19H23N3O3/c1-2-13-25-16-8-5-7-15(14-16)18(23)21-11-6-12-22-19(24)17-9-3-4-10-20-17/h3-5,7-10,14H,2,6,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyOMXBUGULPYCIKR-UHFFFAOYSA-N
XLogP2.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.42
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-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide (CID 6457114) is N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide is CCCOc1cccc(C(=O)NCCCNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is OMXBUGULPYCIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-13-25-16-8-5-7-15(14-16)18(23)21-11-6-12-22-19(24)17-9-3-4-10-20-17/h3-5,7-10,14H,2,6,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide?
N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-propoxybenzoyl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 6457114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).