4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid

C17H19N5O3 — CID 71120257

IUPAC4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid
SMILESO=C(Nc1cccnc1NC1CCN(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C17H19N5O3/c23-16(14-4-1-2-8-18-14)21-13-5-3-9-19-15(13)20-12-6-10-22(11-7-12)17(24)25/h1-5,8-9,12H,6-7,10-11H2,(H,19,20)(H,21,23)(H,24,25)
InChIKeyFKWGWPAHXDVYFU-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.28
Rot. Bonds4

About 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid

4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid (PubChem CID 71120257) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid
PubChem CID71120257
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid
SMILESO=C(Nc1cccnc1NC1CCN(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C17H19N5O3/c23-16(14-4-1-2-8-18-14)21-13-5-3-9-19-15(13)20-12-6-10-22(11-7-12)17(24)25/h1-5,8-9,12H,6-7,10-11H2,(H,19,20)(H,21,23)(H,24,25)
InChIKeyFKWGWPAHXDVYFU-UHFFFAOYSA-N
XLogP2.28
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 175928078
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
4-[(2-amino-3-pyridinyl)carbamothioylamino]piperidine-1-carboxylic acid
CID 88753374
tert-butyl 4-[2,6-difluoro-4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]phenoxy]piperidine-1-carboxylate
CID 70949307
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid (CID 71120257) is 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid is O=C(Nc1cccnc1NC1CCN(C(=O)O)CC1)c1ccccn1.
What is the InChIKey of 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
The InChIKey is FKWGWPAHXDVYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-16(14-4-1-2-8-18-14)21-13-5-3-9-19-15(13)20-12-6-10-22(11-7-12)17(24)25/h1-5,8-9,12H,6-7,10-11H2,(H,19,20)(H,21,23)(H,24,25).
What are the key properties of 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid?
4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 71120257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).