3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid

C14H20N4O3 — CID 104743192

IUPAC3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN1CCC(N(C)C(=O)Nc2cccnc2C(=O)O)CC1
InChIInChI=1S/C14H20N4O3/c1-17-8-5-10(6-9-17)18(2)14(21)16-11-4-3-7-15-12(11)13(19)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySOANANHYLZJUNK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.34
Rot. Bonds3

About 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743192) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743192
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCN1CCC(N(C)C(=O)Nc2cccnc2C(=O)O)CC1
InChIInChI=1S/C14H20N4O3/c1-17-8-5-10(6-9-17)18(2)14(21)16-11-4-3-7-15-12(11)13(19)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySOANANHYLZJUNK-UHFFFAOYSA-N
XLogP1.34
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114506019
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 104743192) is 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid is CN1CCC(N(C)C(=O)Nc2cccnc2C(=O)O)CC1.
What is the InChIKey of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is SOANANHYLZJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17-8-5-10(6-9-17)18(2)14(21)16-11-4-3-7-15-12(11)13(19)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).