2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C15H21N3O3 — CID 114325286

IUPAC2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCC1CCCN(C(=O)NCc2cc(C(=O)O)ccn2)C1C
InChIInChI=1S/C15H21N3O3/c1-10-4-3-7-18(11(10)2)15(21)17-9-13-8-12(14(19)20)5-6-16-13/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZKCSTUFRMHAXEU-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.11
Rot. Bonds3

About 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114325286) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114325286
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCC1CCCN(C(=O)NCc2cc(C(=O)O)ccn2)C1C
InChIInChI=1S/C15H21N3O3/c1-10-4-3-7-18(11(10)2)15(21)17-9-13-8-12(14(19)20)5-6-16-13/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyZKCSTUFRMHAXEU-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325338
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
2-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]pyridine-4-carboxylic acid
CID 115560835
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114548800
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325320
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071555
2-[[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325153
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 104966797

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114325286) is 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid is CC1CCCN(C(=O)NCc2cc(C(=O)O)ccn2)C1C.
What is the InChIKey of 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is ZKCSTUFRMHAXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-3-7-18(11(10)2)15(21)17-9-13-8-12(14(19)20)5-6-16-13/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).