N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide

C12H18N2O2 — CID 86783655

IUPACN-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-3-12(2,6-9-15)14-11(16)10-4-7-13-8-5-10/h4-5,7-8,15H,3,6,9H2,1-2H3,(H,14,16)
InChIKeyAMFYJWCIUUQJMV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide (PubChem CID 86783655) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
PubChem CID86783655
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccncc1
InChIInChI=1S/C12H18N2O2/c1-3-12(2,6-9-15)14-11(16)10-4-7-13-8-5-10/h4-5,7-8,15H,3,6,9H2,1-2H3,(H,14,16)
InChIKeyAMFYJWCIUUQJMV-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
N-(1-hydroxy-3-methylpentan-3-yl)-4-(1,3-thiazol-4-yl)benzamide
CID 110002307
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
CID 75498992

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide (CID 86783655) is N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide is CCC(C)(CCO)NC(=O)c1ccncc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide?
The InChIKey is AMFYJWCIUUQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-12(2,6-9-15)14-11(16)10-4-7-13-8-5-10/h4-5,7-8,15H,3,6,9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 86783655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).