4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide

C16H17F2N5O2 — CID 165112603

IUPAC4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(C3NNCC3C(F)F)nc2)ccn1
InChIInChI=1S/C16H17F2N5O2/c17-15(18)11-7-22-23-14(11)12-2-1-10(6-21-12)25-8-9-3-4-20-13(5-9)16(19)24/h1-6,11,14-15,22-23H,7-8H2,(H2,19,24)
InChIKeyZCORTOLDWUPGQH-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.18
Rot. Bonds6

About 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide

4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide (PubChem CID 165112603) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
PubChem CID165112603
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC Name4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc(C3NNCC3C(F)F)nc2)ccn1
InChIInChI=1S/C16H17F2N5O2/c17-15(18)11-7-22-23-14(11)12-2-1-10(6-21-12)25-8-9-3-4-20-13(5-9)16(19)24/h1-6,11,14-15,22-23H,7-8H2,(H2,19,24)
InChIKeyZCORTOLDWUPGQH-UHFFFAOYSA-N
XLogP1.18
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide (CID 165112603) is 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc(C3NNCC3C(F)F)nc2)ccn1.
What is the InChIKey of 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is ZCORTOLDWUPGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O2/c17-15(18)11-7-22-23-14(11)12-2-1-10(6-21-12)25-8-9-3-4-20-13(5-9)16(19)24/h1-6,11,14-15,22-23H,7-8H2,(H2,19,24).
What are the key properties of 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide?
4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-(difluoromethyl)pyrazolidin-3-yl]-3-pyridinyl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 165112603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).