2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide

C18H22N2O3 — CID 146316420

IUPAC2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide
SMILESCCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccncc1
InChIInChI=1S/C18H22N2O3/c1-4-9-20(13-5-7-19-8-6-13)18(23)15-10-14(12(2)3)16(21)11-17(15)22/h5-8,10-12,21-22H,4,9H2,1-3H3
InChIKeyDARSBHVUYYDFTA-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.67
Rot. Bonds5

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

2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide (PubChem CID 146316420) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide
PubChem CID146316420
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide
SMILESCCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccncc1
InChIInChI=1S/C18H22N2O3/c1-4-9-20(13-5-7-19-8-6-13)18(23)15-10-14(12(2)3)16(21)11-17(15)22/h5-8,10-12,21-22H,4,9H2,1-3H3
InChIKeyDARSBHVUYYDFTA-UHFFFAOYSA-N
XLogP3.67
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide (CID 146316420) is 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide is CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccncc1.
What is the InChIKey of 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide?
The InChIKey is DARSBHVUYYDFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-9-20(13-5-7-19-8-6-13)18(23)15-10-14(12(2)3)16(21)11-17(15)22/h5-8,10-12,21-22H,4,9H2,1-3H3.
What are the key properties of 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide?
2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-propan-2-yl-N-propyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 146316420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).