2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid

C14H20N2O3 — CID 114949848

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C14H20N2O3/c1-10-7-11(13(17)18)8-12(15-10)16(2)9-14(19)5-3-4-6-14/h7-8,19H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyNJLFZSDURQXBFB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds4

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid

2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid (PubChem CID 114949848) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid
PubChem CID114949848
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C14H20N2O3/c1-10-7-11(13(17)18)8-12(15-10)16(2)9-14(19)5-3-4-6-14/h7-8,19H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyNJLFZSDURQXBFB-UHFFFAOYSA-N
XLogP1.83
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954053
1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947854
1-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114951014
3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea
CID 86793408
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471
1-[[(6-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953942
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952353

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid (CID 114949848) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(N(C)CC2(O)CCCC2)n1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid?
The InChIKey is NJLFZSDURQXBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-11(13(17)18)8-12(15-10)16(2)9-14(19)5-3-4-6-14/h7-8,19H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid?
2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 114949848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).