3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C16H18FN3O2 — CID 46991640

IUPAC3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1ccncc1F
InChIInChI=1S/C16H18FN3O2/c1-2-13(11-21)20(10-12-4-3-6-18-8-12)16(22)14-5-7-19-9-15(14)17/h3-9,13,21H,2,10-11H2,1H3
InChIKeyLIUMZWFQOHSAOY-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.03
Rot. Bonds6

About 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 46991640) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID46991640
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1ccncc1F
InChIInChI=1S/C16H18FN3O2/c1-2-13(11-21)20(10-12-4-3-6-18-8-12)16(22)14-5-7-19-9-15(14)17/h3-9,13,21H,2,10-11H2,1H3
InChIKeyLIUMZWFQOHSAOY-UHFFFAOYSA-N
XLogP2.03
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 46991640) is 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is CCC(CO)N(Cc1cccnc1)C(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is LIUMZWFQOHSAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-13(11-21)20(10-12-4-3-6-18-8-12)16(22)14-5-7-19-9-15(14)17/h3-9,13,21H,2,10-11H2,1H3.
What are the key properties of 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 46991640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).