N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide

C12H18N2O3 — CID 113248565

IUPACN-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C12H18N2O3/c1-9(15)6-8-14(2)12(16)10-5-4-7-13-11(10)17-3/h4-5,7,9,15H,6,8H2,1-3H3
InChIKeyLPPNBBQHFRIKRM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.93
Rot. Bonds5

About N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide

N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 113248565) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID113248565
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(C)CCC(C)O
InChIInChI=1S/C12H18N2O3/c1-9(15)6-8-14(2)12(16)10-5-4-7-13-11(10)17-3/h4-5,7,9,15H,6,8H2,1-3H3
InChIKeyLPPNBBQHFRIKRM-UHFFFAOYSA-N
XLogP0.93
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 54993522
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-(4-hydroxyphenyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 60744120

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide (CID 113248565) is N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide is COc1ncccc1C(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is LPPNBBQHFRIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(15)6-8-14(2)12(16)10-5-4-7-13-11(10)17-3/h4-5,7,9,15H,6,8H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide?
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 113248565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).