N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide

C17H19N3O3 — CID 2992519

IUPACN-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1OCC(=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O3/c1-13-4-2-3-5-15(13)23-12-16(21)19-10-11-20-17(22)14-6-8-18-9-7-14/h2-9H,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyIRVSSKHHZAMFMI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.32
Rot. Bonds7

About N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide

N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 2992519) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
PubChem CID2992519
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1OCC(=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O3/c1-13-4-2-3-5-15(13)23-12-16(21)19-10-11-20-17(22)14-6-8-18-9-7-14/h2-9H,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyIRVSSKHHZAMFMI-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
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-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide (CID 2992519) is N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide is Cc1ccccc1OCC(=O)NCCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is IRVSSKHHZAMFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13-4-2-3-5-15(13)23-12-16(21)19-10-11-20-17(22)14-6-8-18-9-7-14/h2-9H,10-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 2992519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).