N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide

C17H19N3O3 — CID 108540562

IUPACN-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-5-3-13(4-6-15)16(21)19-11-12-20-17(22)14-7-9-18-10-8-14/h3-10H,2,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyPFPPEZLGYJZUES-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.64
Rot. Bonds7

About N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 108540562) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
PubChem CID108540562
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-5-3-13(4-6-15)16(21)19-11-12-20-17(22)14-7-9-18-10-8-14/h3-10H,2,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyPFPPEZLGYJZUES-UHFFFAOYSA-N
XLogP1.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.64
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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Related Compounds

N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-decyl-4-ethoxybenzamide
CID 4123784
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide (CID 108540562) is N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide is CCOc1ccc(C(=O)NCCNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is PFPPEZLGYJZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-15-5-3-13(4-6-15)16(21)19-11-12-20-17(22)14-7-9-18-10-8-14/h3-10H,2,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108540562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).