N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide

C21H18ClN3O3 — CID 78888100

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-9-6-15(7-10-17)20(26)23-12-13-24-21(27)16-8-11-19(25-14-16)28-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,26)(H,24,27)
InChIKeyLYFFGIZBZIOIKY-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.69
Rot. Bonds7

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 78888100) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
PubChem CID78888100
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-9-6-15(7-10-17)20(26)23-12-13-24-21(27)16-8-11-19(25-14-16)28-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,26)(H,24,27)
InChIKeyLYFFGIZBZIOIKY-UHFFFAOYSA-N
XLogP3.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.69
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-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 87002133
N-[(1-hydroxycyclobutyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111539349
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319
N-[(1-hydroxycyclopentyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111333099
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide (CID 78888100) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide is O=C(NCCNC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is LYFFGIZBZIOIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-17-9-6-15(7-10-17)20(26)23-12-13-24-21(27)16-8-11-19(25-14-16)28-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 78888100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).