N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide

C24H25N3O3 — CID 78901073

IUPACN-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-3-15-25-23(28)19-11-9-18(10-12-19)16-27-24(29)20-13-14-22(26-17-20)30-21-7-5-4-6-8-21/h4-14,17H,2-3,15-16H2,1H3,(H,25,28)(H,27,29)
InChIKeyXQRDSFGSDFLJPH-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.33
Rot. Bonds9

About N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide

N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 78901073) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
PubChem CID78901073
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-3-15-25-23(28)19-11-9-18(10-12-19)16-27-24(29)20-13-14-22(26-17-20)30-21-7-5-4-6-8-21/h4-14,17H,2-3,15-16H2,1H3,(H,25,28)(H,27,29)
InChIKeyXQRDSFGSDFLJPH-UHFFFAOYSA-N
XLogP4.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.33
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

ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
CID 87002133
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
CID 78888100
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
ethyl 2-[[4-[2-[(6-phenoxypyridine-3-carbonyl)amino]ethoxy]phenyl]methyl]hexanoate
CID 18625705
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78889010

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide (CID 78901073) is N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide is CCCCNC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)nc2)cc1.
What is the InChIKey of N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is XQRDSFGSDFLJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-3-15-25-23(28)19-11-9-18(10-12-19)16-27-24(29)20-13-14-22(26-17-20)30-21-7-5-4-6-8-21/h4-14,17H,2-3,15-16H2,1H3,(H,25,28)(H,27,29).
What are the key properties of N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide?
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 78901073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).