3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C17H20FN5O2 — CID 175659254

IUPAC3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ncc(CN2CCC(NC(=O)c3ncccc3F)CC2)cn1
InChIInChI=1S/C17H20FN5O2/c1-25-17-20-9-12(10-21-17)11-23-7-4-13(5-8-23)22-16(24)15-14(18)3-2-6-19-15/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,22,24)
InChIKeyIFBKUDLQXUOOHJ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.41
Rot. Bonds5

About 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide

3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 175659254) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID175659254
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ncc(CN2CCC(NC(=O)c3ncccc3F)CC2)cn1
InChIInChI=1S/C17H20FN5O2/c1-25-17-20-9-12(10-21-17)11-23-7-4-13(5-8-23)22-16(24)15-14(18)3-2-6-19-15/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,22,24)
InChIKeyIFBKUDLQXUOOHJ-UHFFFAOYSA-N
XLogP1.41
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
N-(1-cyclopentylpyrrolidin-3-yl)-3-fluoropyridine-2-carboxamide
CID 110474904
N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 42866628
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
N-(1-ethylpiperidin-4-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089271
3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 75369663
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 175659254) is 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide is COc1ncc(CN2CCC(NC(=O)c3ncccc3F)CC2)cn1.
What is the InChIKey of 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is IFBKUDLQXUOOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-17-20-9-12(10-21-17)11-23-7-4-13(5-8-23)22-16(24)15-14(18)3-2-6-19-15/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,22,24).
What are the key properties of 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175659254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).