N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide

C17H22N4O2 — CID 91629822

IUPACN-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC(c1cccnc1)C1CCOCC1)n1cccn1
InChIInChI=1S/C17H22N4O2/c1-13(21-9-3-8-19-21)17(22)20-16(14-5-10-23-11-6-14)15-4-2-7-18-12-15/h2-4,7-9,12-14,16H,5-6,10-11H2,1H3,(H,20,22)
InChIKeyQVTIVUOXQGFUOS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.12
Rot. Bonds5

About N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide

N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 91629822) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID91629822
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC(c1cccnc1)C1CCOCC1)n1cccn1
InChIInChI=1S/C17H22N4O2/c1-13(21-9-3-8-19-21)17(22)20-16(14-5-10-23-11-6-14)15-4-2-7-18-12-15/h2-4,7-9,12-14,16H,5-6,10-11H2,1H3,(H,20,22)
InChIKeyQVTIVUOXQGFUOS-UHFFFAOYSA-N
XLogP2.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide (CID 91629822) is N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NC(c1cccnc1)C1CCOCC1)n1cccn1.
What is the InChIKey of N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is QVTIVUOXQGFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(21-9-3-8-19-21)17(22)20-16(14-5-10-23-11-6-14)15-4-2-7-18-12-15/h2-4,7-9,12-14,16H,5-6,10-11H2,1H3,(H,20,22).
What are the key properties of N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide?
N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(pyridin-3-yl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 91629822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).