3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid

C13H18N4O3 — CID 103197754

IUPAC3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCNC(=O)C1CCCN(c2nccc(C(=O)O)c2N)C1
InChIInChI=1S/C13H18N4O3/c1-15-12(18)8-3-2-6-17(7-8)11-10(14)9(13(19)20)4-5-16-11/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,18)(H,19,20)
InChIKeyDKSRGJSMVIOITQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.32
Rot. Bonds3

About 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid

3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 103197754) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID103197754
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCNC(=O)C1CCCN(c2nccc(C(=O)O)c2N)C1
InChIInChI=1S/C13H18N4O3/c1-15-12(18)8-3-2-6-17(7-8)11-10(14)9(13(19)20)4-5-16-11/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,18)(H,19,20)
InChIKeyDKSRGJSMVIOITQ-UHFFFAOYSA-N
XLogP0.32
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 79181195
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 79170719
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide
CID 103718742
1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid (CID 103197754) is 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid is CNC(=O)C1CCCN(c2nccc(C(=O)O)c2N)C1.
What is the InChIKey of 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is DKSRGJSMVIOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-15-12(18)8-3-2-6-17(7-8)11-10(14)9(13(19)20)4-5-16-11/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid?
3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 103197754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).