5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide

C18H18F2N4O — CID 146420207

IUPAC5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cn3)n2)CC1
InChIInChI=1S/C18H18F2N4O/c1-24-9-7-12(8-10-24)17(20)14-3-2-4-16(22-14)23-18(25)15-6-5-13(19)11-21-15/h2-6,11H,7-10H2,1H3,(H,22,23,25)
InChIKeyYDFUUAWSKOVBOV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.27
Rot. Bonds3

About 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide

5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 146420207) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide
PubChem CID146420207
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cn3)n2)CC1
InChIInChI=1S/C18H18F2N4O/c1-24-9-7-12(8-10-24)17(20)14-3-2-4-16(22-14)23-18(25)15-6-5-13(19)11-21-15/h2-6,11H,7-10H2,1H3,(H,22,23,25)
InChIKeyYDFUUAWSKOVBOV-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide (CID 146420207) is 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide is CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(F)cn3)n2)CC1.
What is the InChIKey of 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is YDFUUAWSKOVBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-24-9-7-12(8-10-24)17(20)14-3-2-4-16(22-14)23-18(25)15-6-5-13(19)11-21-15/h2-6,11H,7-10H2,1H3,(H,22,23,25).
What are the key properties of 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide?
5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 146420207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).