4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

C12H18N2O2 — CID 114701979

IUPAC4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)CCC(C)O
InChIInChI=1S/C12H18N2O2/c1-9-7-13-6-5-11(9)8-14-12(16)4-3-10(2)15/h5-7,10,15H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyRKLOVTVVCVETMV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds5

About 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide

4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (PubChem CID 114701979) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
PubChem CID114701979
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
SMILESCc1cnccc1CNC(=O)CCC(C)O
InChIInChI=1S/C12H18N2O2/c1-9-7-13-6-5-11(9)8-14-12(16)4-3-10(2)15/h5-7,10,15H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyRKLOVTVVCVETMV-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700367
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide (CID 114701979) is 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide is Cc1cnccc1CNC(=O)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
The InChIKey is RKLOVTVVCVETMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-13-6-5-11(9)8-14-12(16)4-3-10(2)15/h5-7,10,15H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide?
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide is sourced from PubChem (CID 114701979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).