5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C14H19N3O4 — CID 102962931

IUPAC5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOC1CCCN(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-21-11-3-2-6-17(9-11)14(20)16-8-10-4-5-12(13(18)19)15-7-10/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyOSYGFYNYLITHIB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.10
Rot. Bonds4

About 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 102962931) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID102962931
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCOC1CCCN(C(=O)NCc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-21-11-3-2-6-17(9-11)14(20)16-8-10-4-5-12(13(18)19)15-7-10/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyOSYGFYNYLITHIB-UHFFFAOYSA-N
XLogP1.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 81095740
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
CID 95316935
5-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81096017
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
5-[(1,4-diazepane-1-carbonylamino)methyl]pyridine-2-carboxylic acid
CID 81095292
5-[[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 106315685
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 102962931) is 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid is COC1CCCN(C(=O)NCc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is OSYGFYNYLITHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-11-3-2-6-17(9-11)14(20)16-8-10-4-5-12(13(18)19)15-7-10/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 102962931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).