1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid

C14H19N3O3 — CID 106742890

IUPAC1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H19N3O3/c1-9-6-11(14(19)20)3-5-17(9)13(18)10-2-4-16-12(7-10)8-15/h2,4,7,9,11H,3,5-6,8,15H2,1H3,(H,19,20)
InChIKeyXVLOBVPBYSBHRL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.87
Rot. Bonds3

About 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid

1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742890) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106742890
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H19N3O3/c1-9-6-11(14(19)20)3-5-17(9)13(18)10-2-4-16-12(7-10)8-15/h2,4,7,9,11H,3,5-6,8,15H2,1H3,(H,19,20)
InChIKeyXVLOBVPBYSBHRL-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 114326014
[2-(aminomethyl)-4-pyridinyl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 114326800
1-(3-amino-4-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 107813364
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
1-(1,3-benzothiazole-6-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741825
1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
CID 113277721
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid (CID 106742890) is 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)c1ccnc(CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is XVLOBVPBYSBHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-6-11(14(19)20)3-5-17(9)13(18)10-2-4-16-12(7-10)8-15/h2,4,7,9,11H,3,5-6,8,15H2,1H3,(H,19,20).
What are the key properties of 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid?
1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).