N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

C24H25N3O3 — CID 108925558

IUPACN-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCCCc1ccc(OCC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-4-18-8-12-22(13-9-18)30-17-23(28)26-15-19-6-10-21(11-7-19)27-24(29)20-5-3-14-25-16-20/h3,5-14,16H,2,4,15,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyDXEYIBRKLAJCBT-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.98
Rot. Bonds9

About N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925558) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925558
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCCCc1ccc(OCC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-4-18-8-12-22(13-9-18)30-17-23(28)26-15-19-6-10-21(11-7-19)27-24(29)20-5-3-14-25-16-20/h3,5-14,16H,2,4,15,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyDXEYIBRKLAJCBT-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925558) is N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is CCCc1ccc(OCC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1.
What is the InChIKey of N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DXEYIBRKLAJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-4-18-8-12-22(13-9-18)30-17-23(28)26-15-19-6-10-21(11-7-19)27-24(29)20-5-3-14-25-16-20/h3,5-14,16H,2,4,15,17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).