3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide

C20H24ClN3O3 — CID 71616534

IUPAC3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)cn2)cc(N(C)C(=O)C(C)C)c1
InChIInChI=1S/C20H24ClN3O3/c1-12(2)20(27)24(4)17-8-14(18-6-5-16(21)10-22-18)7-15(9-17)19(26)23-13(3)11-25/h5-10,12-13,25H,11H2,1-4H3,(H,23,26)
InChIKeyYZKZJOZDGPVBHX-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.13
Rot. Bonds6

About 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide

3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide (PubChem CID 71616534) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide
PubChem CID71616534
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)cn2)cc(N(C)C(=O)C(C)C)c1
InChIInChI=1S/C20H24ClN3O3/c1-12(2)20(27)24(4)17-8-14(18-6-5-16(21)10-22-18)7-15(9-17)19(26)23-13(3)11-25/h5-10,12-13,25H,11H2,1-4H3,(H,23,26)
InChIKeyYZKZJOZDGPVBHX-UHFFFAOYSA-N
XLogP3.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide (CID 71616534) is 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide is CC(CO)NC(=O)c1cc(-c2ccc(Cl)cn2)cc(N(C)C(=O)C(C)C)c1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide?
The InChIKey is YZKZJOZDGPVBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-12(2)20(27)24(4)17-8-14(18-6-5-16(21)10-22-18)7-15(9-17)19(26)23-13(3)11-25/h5-10,12-13,25H,11H2,1-4H3,(H,23,26).
What are the key properties of 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide?
3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide has a molecular weight of 389.88 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide is sourced from PubChem (CID 71616534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).