5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid

C14H21N3O2 — CID 105418652

IUPAC5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(7-4-8-14)10-17(3)11-5-6-12(13(18)19)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyDZKWDCHGDHDBDX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds5

About 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid

5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 105418652) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID105418652
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(7-4-8-14)10-17(3)11-5-6-12(13(18)19)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyDZKWDCHGDHDBDX-UHFFFAOYSA-N
XLogP1.70
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine
CID 105415245
5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770
5-[cyclopentyl(methyl)amino]pyridine-2-carboxylic acid
CID 115490773
5-[(2-hydroxycyclohexyl)-methylamino]pyridine-2-carboxylic acid
CID 102632504
[1-[[(6-chloro-3-pyridinyl)-methylamino]methyl]cyclopropyl]-methylcarbamic acid
CID 87733511
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
CID 105415380
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 105417098
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
CID 105415367
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,5-difluorobenzoic acid
CID 105415374
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418695

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid (CID 105418652) is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid is CN(CC1(N(C)C)CCC1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is DZKWDCHGDHDBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)14(7-4-8-14)10-17(3)11-5-6-12(13(18)19)15-9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 105418652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).