6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide

C18H21N3O2 — CID 6498647

IUPAC6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-7-15(8-5-13)17(22)19-10-3-11-20-18(23)16-9-6-14(2)21-12-16/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRFGOINMGFAIOBP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.25
Rot. Bonds6

About 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide

6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 6498647) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
PubChem CID6498647
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-7-15(8-5-13)17(22)19-10-3-11-20-18(23)16-9-6-14(2)21-12-16/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyRFGOINMGFAIOBP-UHFFFAOYSA-N
XLogP2.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.25
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-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide (CID 6498647) is 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is RFGOINMGFAIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-7-15(8-5-13)17(22)19-10-3-11-20-18(23)16-9-6-14(2)21-12-16/h4-9,12H,3,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[(4-methylbenzoyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 6498647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).