N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide

C16H17N3O2 — CID 2988504

IUPACN-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1ccccn1
InChIInChI=1S/C16H17N3O2/c1-12-6-2-3-7-13(12)15(20)18-10-11-19-16(21)14-8-4-5-9-17-14/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyIURXOXFFQKGDEZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.55
Rot. Bonds5

About N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide

N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 2988504) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID2988504
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1ccccn1
InChIInChI=1S/C16H17N3O2/c1-12-6-2-3-7-13(12)15(20)18-10-11-19-16(21)14-8-4-5-9-17-14/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyIURXOXFFQKGDEZ-UHFFFAOYSA-N
XLogP1.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.55
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 N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide (CID 2988504) is N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide is Cc1ccccc1C(=O)NCCNC(=O)c1ccccn1.
What is the InChIKey of N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is IURXOXFFQKGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-6-2-3-7-13(12)15(20)18-10-11-19-16(21)14-8-4-5-9-17-14/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide?
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 2988504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).