5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide

C15H17N3O2 — CID 81315932

IUPAC5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCCCOc2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c16-12-7-8-14(18-11-12)15(19)17-9-4-10-20-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,16H2,(H,17,19)
InChIKeyDJZHAWDSGQFROT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.86
Rot. Bonds6

About 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide

5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide (PubChem CID 81315932) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
PubChem CID81315932
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCCCOc2ccccc2)nc1
InChIInChI=1S/C15H17N3O2/c16-12-7-8-14(18-11-12)15(19)17-9-4-10-20-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,16H2,(H,17,19)
InChIKeyDJZHAWDSGQFROT-UHFFFAOYSA-N
XLogP1.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.86
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

5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
5-(methylamino)-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 104641118
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 106006135
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide (CID 81315932) is 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide is Nc1ccc(C(=O)NCCCOc2ccccc2)nc1.
What is the InChIKey of 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide?
The InChIKey is DJZHAWDSGQFROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-12-7-8-14(18-11-12)15(19)17-9-4-10-20-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,16H2,(H,17,19).
What are the key properties of 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide?
5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 81315932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).