6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

C15H17N3O2 — CID 62072454

IUPAC6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(N)nc2)c1
InChIInChI=1S/C15H17N3O2/c1-11-3-2-4-13(9-11)20-8-7-17-15(19)12-5-6-14(16)18-10-12/h2-6,9-10H,7-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeySGAQIJKTXBEBAV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.78
Rot. Bonds5

About 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide

6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 62072454) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID62072454
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(OCCNC(=O)c2ccc(N)nc2)c1
InChIInChI=1S/C15H17N3O2/c1-11-3-2-4-13(9-11)20-8-7-17-15(19)12-5-6-14(16)18-10-12/h2-6,9-10H,7-8H2,1H3,(H2,16,18)(H,17,19)
InChIKeySGAQIJKTXBEBAV-UHFFFAOYSA-N
XLogP1.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.78
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

6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
N-[2-(3-methylphenoxy)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27859309
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541
4-amino-1-ethyl-N-[2-(3-methylphenoxy)ethyl]pyrazole-5-carboxamide
CID 65358711
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide (CID 62072454) is 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is Cc1cccc(OCCNC(=O)c2ccc(N)nc2)c1.
What is the InChIKey of 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is SGAQIJKTXBEBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-2-4-13(9-11)20-8-7-17-15(19)12-5-6-14(16)18-10-12/h2-6,9-10H,7-8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide?
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62072454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).