N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide

C14H20N2O2 — CID 115362723

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2(CO)CCCC2)cn1
InChIInChI=1S/C14H20N2O2/c1-11-4-5-12(8-15-11)13(18)16-9-14(10-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,16,18)
InChIKeyOTTBIFBPLRAAQX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 115362723) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID115362723
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2(CO)CCCC2)cn1
InChIInChI=1S/C14H20N2O2/c1-11-4-5-12(8-15-11)13(18)16-9-14(10-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,16,18)
InChIKeyOTTBIFBPLRAAQX-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 115701312
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide (CID 115362723) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC2(CO)CCCC2)cn1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is OTTBIFBPLRAAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-5-12(8-15-11)13(18)16-9-14(10-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 115362723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).