N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide

C17H18ClN3O3 — CID 6498631

IUPACN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H18ClN3O3/c1-12-2-3-13(10-21-12)17(23)20-9-8-19-16(22)11-24-15-6-4-14(18)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeySMZHUWWPHZZNTA-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.97
Rot. Bonds7

About N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498631) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID6498631
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H18ClN3O3/c1-12-2-3-13(10-21-12)17(23)20-9-8-19-16(22)11-24-15-6-4-14(18)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,23)
InChIKeySMZHUWWPHZZNTA-UHFFFAOYSA-N
XLogP1.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.97
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-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide (CID 6498631) is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SMZHUWWPHZZNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12-2-3-13(10-21-12)17(23)20-9-8-19-16(22)11-24-15-6-4-14(18)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide?
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).