N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide

C17H19N3O3 — CID 39580083

IUPACN-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-7-5-13(6-8-15)16(21)19-10-11-20-17(22)14-4-3-9-18-12-14/h3-9,12H,2,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOKMSZDILSBNGAR-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.64
Rot. Bonds7

About N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 39580083) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID39580083
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-23-15-7-5-13(6-8-15)16(21)19-10-11-20-17(22)14-4-3-9-18-12-14/h3-9,12H,2,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOKMSZDILSBNGAR-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-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 39580083) is N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is OKMSZDILSBNGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-15-7-5-13(6-8-15)16(21)19-10-11-20-17(22)14-4-3-9-18-12-14/h3-9,12H,2,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 39580083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).