N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide

C17H20N2O3 — CID 146316488

IUPACN-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1
InChIInChI=1S/C17H20N2O3/c1-4-19(12-6-5-7-18-10-12)17(22)14-8-13(11(2)3)15(20)9-16(14)21/h5-11,20-21H,4H2,1-3H3
InChIKeyCFNZXIBOGQPSNR-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.28
Rot. Bonds4

About N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide

N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide (PubChem CID 146316488) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide
PubChem CID146316488
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1
InChIInChI=1S/C17H20N2O3/c1-4-19(12-6-5-7-18-10-12)17(22)14-8-13(11(2)3)15(20)9-16(14)21/h5-11,20-21H,4H2,1-3H3
InChIKeyCFNZXIBOGQPSNR-UHFFFAOYSA-N
XLogP3.28
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide?
The IUPAC name of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide (CID 146316488) is N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide?
The canonical SMILES for N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide is CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1.
What is the InChIKey of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide?
The InChIKey is CFNZXIBOGQPSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-19(12-6-5-7-18-10-12)17(22)14-8-13(11(2)3)15(20)9-16(14)21/h5-11,20-21H,4H2,1-3H3.
What are the key properties of N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide?
N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dihydroxy-5-propan-2-yl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 146316488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).