N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide

C26H31FN4O3 — CID 58358635

IUPACN-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide
SMILESCN(CCO)c1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(F)c5)(C4)C2)C3)n1
InChIInChI=1S/C26H31FN4O3/c1-31(8-9-32)22-7-3-6-21(28-22)24(34)30-26-14-17-10-18(15-26)13-25(12-17,16-26)29-23(33)19-4-2-5-20(27)11-19/h2-7,11,17-18,32H,8-10,12-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyABMTWACMUQCNEU-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.90
Rot. Bonds7

About N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide

N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide (PubChem CID 58358635) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide
PubChem CID58358635
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC NameN-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide
SMILESCN(CCO)c1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(F)c5)(C4)C2)C3)n1
InChIInChI=1S/C26H31FN4O3/c1-31(8-9-32)22-7-3-6-21(28-22)24(34)30-26-14-17-10-18(15-26)13-25(12-17,16-26)29-23(33)19-4-2-5-20(27)11-19/h2-7,11,17-18,32H,8-10,12-16H2,1H3,(H,29,33)(H,30,34)
InChIKeyABMTWACMUQCNEU-UHFFFAOYSA-N
XLogP2.90
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-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

6-[3-(dimethylamino)propyl-methylamino]-N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]pyridine-2-carboxamide
CID 58358514
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
N-[3-[2-(3-fluorophenyl)-2-oxoethyl]-1-adamantyl]pyrimidine-2-carboxamide
CID 58358596
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
4-[[[2-(3-fluorophenyl)-2-oxoethyl]amino]methyl]-N-(3-hydroxy-1-adamantyl)benzamide
CID 68800861
1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
CID 44633202
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67341856
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
3-[[3-(dimethylamino)benzoyl]amino]adamantane-1-carboxamide
CID 67480894

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide (CID 58358635) is N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide is CN(CCO)c1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(F)c5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide?
The InChIKey is ABMTWACMUQCNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-31(8-9-32)22-7-3-6-21(28-22)24(34)30-26-14-17-10-18(15-26)13-25(12-17,16-26)29-23(33)19-4-2-5-20(27)11-19/h2-7,11,17-18,32H,8-10,12-16H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide?
N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 58358635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).