N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide

C26H29N3O3 — CID 55903216

IUPACN-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)ccc1C(C)C
InChIInChI=1S/C26H29N3O3/c1-17(2)24-9-8-23(14-18(24)3)32-19(4)25(30)28-16-20-6-5-7-22(15-20)29-26(31)21-10-12-27-13-11-21/h5-15,17,19H,16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyWCFSVMWHCYAPCQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.85
Rot. Bonds8

About N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55903216) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55903216
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)ccc1C(C)C
InChIInChI=1S/C26H29N3O3/c1-17(2)24-9-8-23(14-18(24)3)32-19(4)25(30)28-16-20-6-5-7-22(15-20)29-26(31)21-10-12-27-13-11-21/h5-15,17,19H,16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyWCFSVMWHCYAPCQ-UHFFFAOYSA-N
XLogP4.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640
N-[3-[[2-(4-methoxyphenyl)sulfanylpropanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55904243
3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
CID 51947210
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 87041727
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 172658894
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
N-[3-[[[2,2-difluoroethyl(methyl)carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 56825715
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide (CID 55903216) is N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide is Cc1cc(OC(C)C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)ccc1C(C)C.
What is the InChIKey of N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is WCFSVMWHCYAPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17(2)24-9-8-23(14-18(24)3)32-19(4)25(30)28-16-20-6-5-7-22(15-20)29-26(31)21-10-12-27-13-11-21/h5-15,17,19H,16H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55903216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).