2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C15H21N3O3 — CID 114325192

IUPAC2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCC1CCN(C(=O)NCc2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-11-4-7-18(8-5-11)15(21)17-10-13-9-12(14(19)20)3-6-16-13/h3,6,9,11H,2,4-5,7-8,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyWTKYALPTMPSLBK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.11
Rot. Bonds4

About 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114325192) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114325192
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCC1CCN(C(=O)NCc2cc(C(=O)O)ccn2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-11-4-7-18(8-5-11)15(21)17-10-13-9-12(14(19)20)3-6-16-13/h3,6,9,11H,2,4-5,7-8,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyWTKYALPTMPSLBK-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325153
2-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]pyridine-4-carboxylic acid
CID 115560835
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325286
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
N-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]methyl]acetamide
CID 112531754
2-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325338
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[[cyclopentylmethyl(methyl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 114325320
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
2-[(pentan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277665
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114325192) is 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid is CCC1CCN(C(=O)NCc2cc(C(=O)O)ccn2)CC1.
What is the InChIKey of 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is WTKYALPTMPSLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-11-4-7-18(8-5-11)15(21)17-10-13-9-12(14(19)20)3-6-16-13/h3,6,9,11H,2,4-5,7-8,10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).