N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide

C16H19N3O3 — CID 46988545

IUPACN-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H19N3O3/c1-2-14(11-20)19(10-13-5-3-4-8-17-13)16(22)12-6-7-15(21)18-9-12/h3-9,14,20H,2,10-11H2,1H3,(H,18,21)
InChIKeyUWTXZIUINIFJOX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.18
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide

N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 46988545) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID46988545
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H19N3O3/c1-2-14(11-20)19(10-13-5-3-4-8-17-13)16(22)12-6-7-15(21)18-9-12/h3-9,14,20H,2,10-11H2,1H3,(H,18,21)
InChIKeyUWTXZIUINIFJOX-UHFFFAOYSA-N
XLogP1.18
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 46988545) is N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide is CCC(CO)N(Cc1ccccn1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UWTXZIUINIFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-14(11-20)19(10-13-5-3-4-8-17-13)16(22)12-6-7-15(21)18-9-12/h3-9,14,20H,2,10-11H2,1H3,(H,18,21).
What are the key properties of N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46988545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).