N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide

C16H17N3O3 — CID 2984987

IUPACN-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17N3O3/c1-22-13-6-4-5-12(11-13)15(20)18-9-10-19-16(21)14-7-2-3-8-17-14/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRWPSBMCHZMTPNQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.25
Rot. Bonds6

About N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide

N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 2984987) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID2984987
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17N3O3/c1-22-13-6-4-5-12(11-13)15(20)18-9-10-19-16(21)14-7-2-3-8-17-14/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRWPSBMCHZMTPNQ-UHFFFAOYSA-N
XLogP1.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide (CID 2984987) is N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide is COc1cccc(C(=O)NCCNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is RWPSBMCHZMTPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-13-6-4-5-12(11-13)15(20)18-9-10-19-16(21)14-7-2-3-8-17-14/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 2984987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).