2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide

C19H23N3O2 — CID 155515431

IUPAC2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCC(C)Oc1cc(-c2cncc(N3CCCC3)c2)ccc1C(N)=O
InChIInChI=1S/C19H23N3O2/c1-13(2)24-18-10-14(5-6-17(18)19(20)23)15-9-16(12-21-11-15)22-7-3-4-8-22/h5-6,9-13H,3-4,7-8H2,1-2H3,(H2,20,23)
InChIKeyBYGXGYPCDPPVGV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.23
Rot. Bonds5

About 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide

2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 155515431) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID155515431
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCC(C)Oc1cc(-c2cncc(N3CCCC3)c2)ccc1C(N)=O
InChIInChI=1S/C19H23N3O2/c1-13(2)24-18-10-14(5-6-17(18)19(20)23)15-9-16(12-21-11-15)22-7-3-4-8-22/h5-6,9-13H,3-4,7-8H2,1-2H3,(H2,20,23)
InChIKeyBYGXGYPCDPPVGV-UHFFFAOYSA-N
XLogP3.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
CID 139582022
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
2-Fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
CID 155548898
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
4-(5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)-2-(propan-2-yloxy)benzamide
CID 154726271
2,3-dimethoxy-N-pyridin-3-ylbenzamide
CID 849210
2-methoxy-N-[3-oxo-3-(pyridin-3-ylamino)propyl]benzamide
CID 2470424
2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
CID 4881343
2-ethoxy-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4882693
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide
CID 3565187

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 155515431) is 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide is CC(C)Oc1cc(-c2cncc(N3CCCC3)c2)ccc1C(N)=O.
What is the InChIKey of 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is BYGXGYPCDPPVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)24-18-10-14(5-6-17(18)19(20)23)15-9-16(12-21-11-15)22-7-3-4-8-22/h5-6,9-13H,3-4,7-8H2,1-2H3,(H2,20,23).
What are the key properties of 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide?
2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-(5-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 155515431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).