N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide

C19H23N3O2 — CID 20560117

IUPACN,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CCc2ccccc2NC=O)nc1
InChIInChI=1S/C19H23N3O2/c1-3-22(4-2)19(24)16-10-12-17(20-13-16)11-9-15-7-5-6-8-18(15)21-14-23/h5-8,10,12-14H,3-4,9,11H2,1-2H3,(H,21,23)
InChIKeyYUONDHBXLZPTQB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.92
Rot. Bonds8

About N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide

N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 20560117) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide
PubChem CID20560117
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CCc2ccccc2NC=O)nc1
InChIInChI=1S/C19H23N3O2/c1-3-22(4-2)19(24)16-10-12-17(20-13-16)11-9-15-7-5-6-8-18(15)21-14-23/h5-8,10,12-14H,3-4,9,11H2,1-2H3,(H,21,23)
InChIKeyYUONDHBXLZPTQB-UHFFFAOYSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide (CID 20560117) is N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(CCc2ccccc2NC=O)nc1.
What is the InChIKey of N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is YUONDHBXLZPTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-22(4-2)19(24)16-10-12-17(20-13-16)11-9-15-7-5-6-8-18(15)21-14-23/h5-8,10,12-14H,3-4,9,11H2,1-2H3,(H,21,23).
What are the key properties of N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide?
N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[2-(2-formamidophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 20560117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).