5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid

C20H20F2N4O3 — CID 168987952

IUPAC5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N(c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)C2CC2)cn1
InChIInChI=1S/C20H20F2N4O3/c21-20(22)7-9-25(10-8-20)18(27)13-1-6-17(24-11-13)26(14-2-3-14)15-4-5-16(19(28)29)23-12-15/h1,4-6,11-12,14H,2-3,7-10H2,(H,28,29)
InChIKeyXSDDLJIMSCTURW-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.35
Rot. Bonds5

About 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid

5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid (PubChem CID 168987952) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
PubChem CID168987952
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N(c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)C2CC2)cn1
InChIInChI=1S/C20H20F2N4O3/c21-20(22)7-9-25(10-8-20)18(27)13-1-6-17(24-11-13)26(14-2-3-14)15-4-5-16(19(28)29)23-12-15/h1,4-6,11-12,14H,2-3,7-10H2,(H,28,29)
InChIKeyXSDDLJIMSCTURW-UHFFFAOYSA-N
XLogP3.35
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid (CID 168987952) is 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid is O=C(O)c1ccc(N(c2ccc(C(=O)N3CCC(F)(F)CC3)cn2)C2CC2)cn1.
What is the InChIKey of 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The InChIKey is XSDDLJIMSCTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c21-20(22)7-9-25(10-8-20)18(27)13-1-6-17(24-11-13)26(14-2-3-14)15-4-5-16(19(28)29)23-12-15/h1,4-6,11-12,14H,2-3,7-10H2,(H,28,29).
What are the key properties of 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid has a molecular weight of 402.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 168987952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).