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

C18H21N3O2 — CID 6498664

IUPAC6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H21N3O2/c1-14-8-9-16(13-21-14)18(23)20-11-5-10-19-17(22)12-15-6-3-2-4-7-15/h2-4,6-9,13H,5,10-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyOUJSMSFLPHKLQT-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.87
Rot. Bonds7

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

6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 6498664) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide
PubChem CID6498664
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H21N3O2/c1-14-8-9-16(13-21-14)18(23)20-11-5-10-19-17(22)12-15-6-3-2-4-7-15/h2-4,6-9,13H,5,10-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyOUJSMSFLPHKLQT-UHFFFAOYSA-N
XLogP1.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide (CID 6498664) is 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2)cn1.
What is the InChIKey of 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is OUJSMSFLPHKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-8-9-16(13-21-14)18(23)20-11-5-10-19-17(22)12-15-6-3-2-4-7-15/h2-4,6-9,13H,5,10-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide?
6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[(2-phenylacetyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 6498664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).