6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

C19H23N3O3 — CID 6498659

IUPAC6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C19H23N3O3/c1-14-4-8-17(9-5-14)25-13-18(23)20-10-3-11-21-19(24)16-7-6-15(2)22-12-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyXLASSWOKRPGLED-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.01
Rot. Bonds8

About 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (PubChem CID 6498659) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
PubChem CID6498659
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C19H23N3O3/c1-14-4-8-17(9-5-14)25-13-18(23)20-10-3-11-21-19(24)16-7-6-15(2)22-12-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyXLASSWOKRPGLED-UHFFFAOYSA-N
XLogP2.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.01
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

Tirbanibulin
CID 23635314
Ondelopran
CID 10457387
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
Picafibrate
CID 68773
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
VU0404251
CID 58368068
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (CID 6498659) is 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is Cc1ccc(OCC(=O)NCCCNC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The InChIKey is XLASSWOKRPGLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-4-8-17(9-5-14)25-13-18(23)20-10-3-11-21-19(24)16-7-6-15(2)22-12-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 6498659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).