N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide

C17H28N2O3 — CID 109380782

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1cncc(C(=O)NCC(C)(C)C(O)C(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-11(2)15(20)17(5,6)10-19-16(21)13-7-14(9-18-8-13)22-12(3)4/h7-9,11-12,15,20H,10H2,1-6H3,(H,19,21)
InChIKeyVVLUJKDWVQPEBU-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.64
Rot. Bonds7

About N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide (PubChem CID 109380782) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
PubChem CID109380782
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1cncc(C(=O)NCC(C)(C)C(O)C(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-11(2)15(20)17(5,6)10-19-16(21)13-7-14(9-18-8-13)22-12(3)4/h7-9,11-12,15,20H,10H2,1-6H3,(H,19,21)
InChIKeyVVLUJKDWVQPEBU-UHFFFAOYSA-N
XLogP2.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-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

3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 109381046
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 109380798
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
2-methyl-2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 115794538
2-methylhex-5-en-2-yl 5-propan-2-yloxypyridine-3-carboxylate
CID 86796842
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethylpyridine-3-carboxamide
CID 110028174
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide (CID 109380782) is N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1cncc(C(=O)NCC(C)(C)C(O)C(C)C)c1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is VVLUJKDWVQPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-11(2)15(20)17(5,6)10-19-16(21)13-7-14(9-18-8-13)22-12(3)4/h7-9,11-12,15,20H,10H2,1-6H3,(H,19,21).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 109380782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).