N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide

C13H20N2O2 — CID 95740949

IUPACN-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)c1ccncc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(16)6-9-15-12(17)10-4-7-14-8-5-10/h4-5,7-8,11,16H,6,9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyFOIUDYHJERJECW-LLVKDONJSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds4

About N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide

N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide (PubChem CID 95740949) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
PubChem CID95740949
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)c1ccncc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(16)6-9-15-12(17)10-4-7-14-8-5-10/h4-5,7-8,11,16H,6,9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyFOIUDYHJERJECW-LLVKDONJSA-N
XLogP1.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014
N-pentylpyridine-4-carboxamide
CID 2307296
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-hexylpyridine-4-carboxamide
CID 3423732
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523428

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide (CID 95740949) is N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide is CC(C)(C)[C@H](O)CCNC(=O)c1ccncc1.
What is the InChIKey of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide?
The InChIKey is FOIUDYHJERJECW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)11(16)6-9-15-12(17)10-4-7-14-8-5-10/h4-5,7-8,11,16H,6,9H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide?
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide is sourced from PubChem (CID 95740949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).