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

C17H19N3O2 — CID 6498633

IUPAC6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H19N3O2/c1-13-7-8-15(12-20-13)17(22)19-10-9-18-16(21)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyYRZWWTMTYHRUHD-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.48
Rot. Bonds6

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

6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 6498633) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID6498633
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C17H19N3O2/c1-13-7-8-15(12-20-13)17(22)19-10-9-18-16(21)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyYRZWWTMTYHRUHD-UHFFFAOYSA-N
XLogP1.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990920
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990901
6-methyl-N-[2-(naphthalene-1-carbonylamino)ethyl]pyridine-3-carboxamide
CID 8990934
6-methyl-N-phenacylpyridine-3-carboxamide
CID 64991652
N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
CID 6498671
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 6498628
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide (CID 6498633) is 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)Cc2ccccc2)cn1.
What is the InChIKey of 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is YRZWWTMTYHRUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-7-8-15(12-20-13)17(22)19-10-9-18-16(21)11-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide?
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 6498633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).